3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol

C15H19N5O — CID 136547796

IUPAC3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol
SMILESOCC(CNc1cc(NC2CC2)ncn1)c1cccnc1
InChIInChI=1S/C15H19N5O/c21-9-12(11-2-1-5-16-7-11)8-17-14-6-15(19-10-18-14)20-13-3-4-13/h1-2,5-7,10,12-13,21H,3-4,8-9H2,(H2,17,18,19,20)
InChIKeyNBQKIBSOMZSVLK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.63
Rot. Bonds7

About 3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol

3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol (PubChem CID 136547796) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol
PubChem CID136547796
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol
SMILESOCC(CNc1cc(NC2CC2)ncn1)c1cccnc1
InChIInChI=1S/C15H19N5O/c21-9-12(11-2-1-5-16-7-11)8-17-14-6-15(19-10-18-14)20-13-3-4-13/h1-2,5-7,10,12-13,21H,3-4,8-9H2,(H2,17,18,19,20)
InChIKeyNBQKIBSOMZSVLK-UHFFFAOYSA-N
XLogP1.63
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol?
The IUPAC name of 3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol (CID 136547796) is 3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol is OCC(CNc1cc(NC2CC2)ncn1)c1cccnc1.
What is the InChIKey of 3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol?
The InChIKey is NBQKIBSOMZSVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-9-12(11-2-1-5-16-7-11)8-17-14-6-15(19-10-18-14)20-13-3-4-13/h1-2,5-7,10,12-13,21H,3-4,8-9H2,(H2,17,18,19,20).
What are the key properties of 3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol?
3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol has a molecular weight of 285.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]-2-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 136547796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).