[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone

C18H22ClN5O2 — CID 56879838

IUPAC[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1ccc(Cl)cc1O)C2
InChIInChI=1S/C18H22ClN5O2/c1-22(2)16-12-7-8-24(10-14(12)20-18(21-16)23(3)4)17(26)13-6-5-11(19)9-15(13)25/h5-6,9,25H,7-8,10H2,1-4H3
InChIKeyZPJNEEQZNKAQLG-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.17
Rot. Bonds3

About [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone

[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone (PubChem CID 56879838) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone
PubChem CID56879838
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1ccc(Cl)cc1O)C2
InChIInChI=1S/C18H22ClN5O2/c1-22(2)16-12-7-8-24(10-14(12)20-18(21-16)23(3)4)17(26)13-6-5-11(19)9-15(13)25/h5-6,9,25H,7-8,10H2,1-4H3
InChIKeyZPJNEEQZNKAQLG-UHFFFAOYSA-N
XLogP2.17
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,2-oxazol-3-yl)methanone
CID 118778160
2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one
CID 118787331
5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one
CID 118771885
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
CID 56874672
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 56874495
1-(4-chloro-2-hydroxybenzoyl)piperidin-4-one
CID 24706727
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide
CID 56898722
(5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56873381
(4-chloro-2-hydroxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63026132
1-[2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]pyridin-2-one
CID 118793652
(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 15942376
[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-fluoro-4-methylphenyl)methanone
CID 56872654

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone?
The IUPAC name of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone (CID 56879838) is [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone?
The canonical SMILES for [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone is CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)c1ccc(Cl)cc1O)C2.
What is the InChIKey of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone?
The InChIKey is ZPJNEEQZNKAQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-22(2)16-12-7-8-24(10-14(12)20-18(21-16)23(3)4)17(26)13-6-5-11(19)9-15(13)25/h5-6,9,25H,7-8,10H2,1-4H3.
What are the key properties of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone?
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone has a molecular weight of 375.86 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 56879838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).