2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol

C15H21N5O — CID 141398261

IUPAC2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(Nc2ccccn2)cc(C(C)C)n1
InChIInChI=1S/C15H21N5O/c1-10(2)12-8-14(19-13-6-4-5-7-16-13)20-15(18-12)17-11(3)9-21/h4-8,10-11,21H,9H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyVWMBNUXWYMMRKY-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.53
Rot. Bonds6

About 2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol

2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol (PubChem CID 141398261) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol
PubChem CID141398261
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(Nc2ccccn2)cc(C(C)C)n1
InChIInChI=1S/C15H21N5O/c1-10(2)12-8-14(19-13-6-4-5-7-16-13)20-15(18-12)17-11(3)9-21/h4-8,10-11,21H,9H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyVWMBNUXWYMMRKY-UHFFFAOYSA-N
XLogP2.53
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol
CID 59618245
6-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
CID 70974280
4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
CID 130369699
1-(pyridin-2-ylamino)ethanol
CID 20521375
2,6-dichloro-N-[2-[[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672618
5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol
CID 90863470
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 141026020
(2S)-2-[[2-(3-fluoroanilino)pyrimidin-4-yl]amino]propan-1-ol
CID 134158145
4-[[2-[[(2S)-butan-2-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]amino]-2,6-dichlorophenol
CID 137148638
2-[(3R)-3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
CID 95844663
(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride
CID 134152755

Frequently Asked Questions

What is the IUPAC name of 2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol (CID 141398261) is 2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol is CC(CO)Nc1nc(Nc2ccccn2)cc(C(C)C)n1.
What is the InChIKey of 2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is VWMBNUXWYMMRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)12-8-14(19-13-6-4-5-7-16-13)20-15(18-12)17-11(3)9-21/h4-8,10-11,21H,9H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol?
2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 287.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-propan-2-yl-6-(pyridin-2-ylamino)pyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 141398261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).