2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone

C11H19N5O — CID 154281840

IUPAC2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone
SMILESNC1=NC(N)(CC(=O)N2CCCCC2)NC=C1
InChIInChI=1S/C11H19N5O/c12-9-4-5-14-11(13,15-9)8-10(17)16-6-2-1-3-7-16/h4-5,14H,1-3,6-8,13H2,(H2,12,15)
InChIKeyLMFGWSWARKJPQH-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.52
Rot. Bonds2

About 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone

2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone (PubChem CID 154281840) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone
PubChem CID154281840
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone
SMILESNC1=NC(N)(CC(=O)N2CCCCC2)NC=C1
InChIInChI=1S/C11H19N5O/c12-9-4-5-14-11(13,15-9)8-10(17)16-6-2-1-3-7-16/h4-5,14H,1-3,6-8,13H2,(H2,12,15)
InChIKeyLMFGWSWARKJPQH-UHFFFAOYSA-N
XLogP-0.52
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone
CID 154380327
4-Amino-1-propylpyrimidin-2-one;1,3-diazinane-2,4-dione
CID 175318366
2-methyl-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
CID 136957139

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone (CID 154281840) is 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone is NC1=NC(N)(CC(=O)N2CCCCC2)NC=C1.
What is the InChIKey of 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone?
The InChIKey is LMFGWSWARKJPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-9-4-5-14-11(13,15-9)8-10(17)16-6-2-1-3-7-16/h4-5,14H,1-3,6-8,13H2,(H2,12,15).
What are the key properties of 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone?
2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone has a molecular weight of 237.31 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 154281840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).