2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol

C16H20N4O — CID 133367313

IUPAC2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cc(NC(C)(CO)C2CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H20N4O/c1-11-8-14(20-16(2,10-21)13-5-6-13)19-15(18-11)12-4-3-7-17-9-12/h3-4,7-9,13,21H,5-6,10H2,1-2H3,(H,18,19,20)
InChIKeySYMDHCLMGNCPTG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.42
Rot. Bonds5

About 2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol

2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 133367313) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID133367313
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cc(NC(C)(CO)C2CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H20N4O/c1-11-8-14(20-16(2,10-21)13-5-6-13)19-15(18-11)12-4-3-7-17-9-12/h3-4,7-9,13,21H,5-6,10H2,1-2H3,(H,18,19,20)
InChIKeySYMDHCLMGNCPTG-UHFFFAOYSA-N
XLogP2.42
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-piperidin-4-yl-2-pyridin-3-ylpyrimidin-4-amine
CID 94075322
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133279755
6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302283
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-cyclopropylpropan-1-ol
CID 71848670
1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50976714
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95138091
N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide
CID 50982961
N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 131916302
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50961051
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone
CID 133273214

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol (CID 133367313) is 2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol is Cc1cc(NC(C)(CO)C2CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is SYMDHCLMGNCPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-8-14(20-16(2,10-21)13-5-6-13)19-15(18-11)12-4-3-7-17-9-12/h3-4,7-9,13,21H,5-6,10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 284.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 133367313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).