2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol

C18H19N5O — CID 118443761

IUPAC2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol
SMILESCC(C)(C)C(O)(c1cncnc1)c1ccc(-c2cncnc2)cn1
InChIInChI=1S/C18H19N5O/c1-17(2,3)18(24,15-9-21-12-22-10-15)16-5-4-13(8-23-16)14-6-19-11-20-7-14/h4-12,24H,1-3H3
InChIKeyVGUZAQKBURPNOA-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.61
Rot. Bonds3

About 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol

2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol (PubChem CID 118443761) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol
PubChem CID118443761
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol
SMILESCC(C)(C)C(O)(c1cncnc1)c1ccc(-c2cncnc2)cn1
InChIInChI=1S/C18H19N5O/c1-17(2,3)18(24,15-9-21-12-22-10-15)16-5-4-13(8-23-16)14-6-19-11-20-7-14/h4-12,24H,1-3H3
InChIKeyVGUZAQKBURPNOA-UHFFFAOYSA-N
XLogP2.61
TPSA84.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol with MolForge

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Related Compounds

Cdk5-IN-3
CID 156212722
6-(4-hydroxy-4-phenylpiperidin-1-yl)-1-methyl-4-(pyrimidin-4-yl)pyridin-2(1H)-one
CID 46871676
4-[1-[5-[6-[(4-Tert-butyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylic acid
CID 119098899
4-[[4-[1-(4-Tert-butylphenyl)-1-hydroxy-ethyl]pyrimidin-2-yl]amino]benzonitrile
CID 86577861
4-[[4-(1-Hydroxy-1-phenyl-ethyl)pyrimidin-2-yl]amino]benzonitrile
CID 86577895
(1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166626052
8-(4-Methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 3228658
4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL
CID 72851395
1-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-4-cyclohexylpiperidin-4-ol
CID 58073657
1-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-4-cyclohexylpiperidin-4-ol
CID 58073666
1-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-4-benzylpiperidin-4-ol
CID 58073692
1-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
CID 58073699

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol (CID 118443761) is 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol is CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2cncnc2)cn1.
What is the InChIKey of 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol?
The InChIKey is VGUZAQKBURPNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-17(2,3)18(24,15-9-21-12-22-10-15)16-5-4-13(8-23-16)14-6-19-11-20-7-14/h4-12,24H,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol?
2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol has a molecular weight of 321.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 118443761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).