1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol

C13H23N5O — CID 72934373

IUPAC1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCc1cnc(N)nc1NCC(O)CN1CCCCC1
InChIInChI=1S/C13H23N5O/c1-10-7-16-13(14)17-12(10)15-8-11(19)9-18-5-3-2-4-6-18/h7,11,19H,2-6,8-9H2,1H3,(H3,14,15,16,17)
InChIKeyAUZJMCICWHLVDE-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.63
Rot. Bonds5

About 1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol

1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol (PubChem CID 72934373) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
PubChem CID72934373
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCc1cnc(N)nc1NCC(O)CN1CCCCC1
InChIInChI=1S/C13H23N5O/c1-10-7-16-13(14)17-12(10)15-8-11(19)9-18-5-3-2-4-6-18/h7,11,19H,2-6,8-9H2,1H3,(H3,14,15,16,17)
InChIKeyAUZJMCICWHLVDE-UHFFFAOYSA-N
XLogP0.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol (CID 72934373) is 1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol is Cc1cnc(N)nc1NCC(O)CN1CCCCC1.
What is the InChIKey of 1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is AUZJMCICWHLVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-7-16-13(14)17-12(10)15-8-11(19)9-18-5-3-2-4-6-18/h7,11,19H,2-6,8-9H2,1H3,(H3,14,15,16,17).
What are the key properties of 1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 265.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 72934373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).