1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol

C11H19N5O — CID 66903991

IUPAC1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESNCCNc1nccc(N2CCC(O)CC2)n1
InChIInChI=1S/C11H19N5O/c12-4-6-14-11-13-5-1-10(15-11)16-7-2-9(17)3-8-16/h1,5,9,17H,2-4,6-8,12H2,(H,13,14,15)
InChIKeyWVHKVUYMHVUDDW-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.19
Rot. Bonds4

About 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol

1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 66903991) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol
PubChem CID66903991
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESNCCNc1nccc(N2CCC(O)CC2)n1
InChIInChI=1S/C11H19N5O/c12-4-6-14-11-13-5-1-10(15-11)16-7-2-9(17)3-8-16/h1,5,9,17H,2-4,6-8,12H2,(H,13,14,15)
InChIKeyWVHKVUYMHVUDDW-UHFFFAOYSA-N
XLogP-0.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol (CID 66903991) is 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol is NCCNc1nccc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is WVHKVUYMHVUDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-4-6-14-11-13-5-1-10(15-11)16-7-2-9(17)3-8-16/h1,5,9,17H,2-4,6-8,12H2,(H,13,14,15).
What are the key properties of 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol?
1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 237.31 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 66903991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).