(2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one

C18H29N5O3 — CID 97194745

IUPAC(2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one
SMILESCC[C@@H](O)C(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1
InChIInChI=1S/C18H29N5O3/c1-4-15(25)17(26)23-10-7-14-13(11-23)16(20-18(19-14)21(2)3)22-8-5-12(24)6-9-22/h12,15,24-25H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyVZJWWJVDQGALAV-OAHLLOKOSA-N
MW363.46 g/mol
LogP0.16
Rot. Bonds4

About (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one

(2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one (PubChem CID 97194745) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one.

Molecular Properties

Compound Name(2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one
PubChem CID97194745
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name(2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one
SMILESCC[C@@H](O)C(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1
InChIInChI=1S/C18H29N5O3/c1-4-15(25)17(26)23-10-7-14-13(11-23)16(20-18(19-14)21(2)3)22-8-5-12(24)6-9-22/h12,15,24-25H,4-11H2,1-3H3/t15-/m1/s1
InChIKeyVZJWWJVDQGALAV-OAHLLOKOSA-N
XLogP0.16
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one with MolForge

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Related Compounds

cyclobutyl-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 70773707
5-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 163310719
1-[2-(dimethylamino)-6-(pyridin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56889598
1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56884871
1-[2-(dimethylamino)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56902374
1-[2,4-bis(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 46072617
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 56884983
2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46050901
1-[2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
CID 42855530
[2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone
CID 46050600
2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46050903
1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625622

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one?
The IUPAC name of (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one (CID 97194745) is (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one.
What is the SMILES notation for (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one?
The canonical SMILES for (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one is CC[C@@H](O)C(=O)N1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1.
What is the InChIKey of (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one?
The InChIKey is VZJWWJVDQGALAV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-4-15(25)17(26)23-10-7-14-13(11-23)16(20-18(19-14)21(2)3)22-8-5-12(24)6-9-22/h12,15,24-25H,4-11H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one?
(2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one has a molecular weight of 363.46 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-hydroxybutan-1-one is sourced from PubChem (CID 97194745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).