1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol

C19H26N6O — CID 134712116

IUPAC1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1nc(CNc2nccc(N3CCCC(O)C3)n2)nc2c1CCCC2
InChIInChI=1S/C19H26N6O/c1-13-15-6-2-3-7-16(15)23-17(22-13)11-21-19-20-9-8-18(24-19)25-10-4-5-14(26)12-25/h8-9,14,26H,2-7,10-12H2,1H3,(H,20,21,24)
InChIKeyWDQFRWGCUDQFFO-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.03
Rot. Bonds4

About 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol

1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 134712116) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID134712116
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCc1nc(CNc2nccc(N3CCCC(O)C3)n2)nc2c1CCCC2
InChIInChI=1S/C19H26N6O/c1-13-15-6-2-3-7-16(15)23-17(22-13)11-21-19-20-9-8-18(24-19)25-10-4-5-14(26)12-25/h8-9,14,26H,2-7,10-12H2,1H3,(H,20,21,24)
InChIKeyWDQFRWGCUDQFFO-UHFFFAOYSA-N
XLogP2.03
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol with MolForge

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Related Compounds

1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 135117171
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135088444
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134703687
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
1-[2-[(2-ethoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50958722
1-[2-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50985155
(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95525382
1-[2-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50973711
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol (CID 134712116) is 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol is Cc1nc(CNc2nccc(N3CCCC(O)C3)n2)nc2c1CCCC2.
What is the InChIKey of 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is WDQFRWGCUDQFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13-15-6-2-3-7-16(15)23-17(22-13)11-21-19-20-9-8-18(24-19)25-10-4-5-14(26)12-25/h8-9,14,26H,2-7,10-12H2,1H3,(H,20,21,24).
What are the key properties of 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 354.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 134712116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).