1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol

C14H24N4O — CID 72858727

IUPAC1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCCc1cc(NCC(O)CN2CCCCC2)ncn1
InChIInChI=1S/C14H24N4O/c1-2-12-8-14(17-11-16-12)15-9-13(19)10-18-6-4-3-5-7-18/h8,11,13,19H,2-7,9-10H2,1H3,(H,15,16,17)
InChIKeyGJSABSWTHBFVFP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.30
Rot. Bonds6

About 1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol

1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol (PubChem CID 72858727) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
PubChem CID72858727
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCCc1cc(NCC(O)CN2CCCCC2)ncn1
InChIInChI=1S/C14H24N4O/c1-2-12-8-14(17-11-16-12)15-9-13(19)10-18-6-4-3-5-7-18/h8,11,13,19H,2-7,9-10H2,1H3,(H,15,16,17)
InChIKeyGJSABSWTHBFVFP-UHFFFAOYSA-N
XLogP1.30
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol (CID 72858727) is 1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol is CCc1cc(NCC(O)CN2CCCCC2)ncn1.
What is the InChIKey of 1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is GJSABSWTHBFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-12-8-14(17-11-16-12)15-9-13(19)10-18-6-4-3-5-7-18/h8,11,13,19H,2-7,9-10H2,1H3,(H,15,16,17).
What are the key properties of 1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 72858727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).