4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one

C10H19N5O — CID 137008122

IUPAC4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CCN)CCN)cc(=O)[nH]1
InChIInChI=1S/C10H19N5O/c1-2-8-13-9(7-10(16)14-8)15(5-3-11)6-4-12/h7H,2-6,11-12H2,1H3,(H,13,14,16)
InChIKeyGPFUVOVZLWRSAK-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.94
Rot. Bonds6

About 4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137008122) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID137008122
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CCN)CCN)cc(=O)[nH]1
InChIInChI=1S/C10H19N5O/c1-2-8-13-9(7-10(16)14-8)15(5-3-11)6-4-12/h7H,2-6,11-12H2,1H3,(H,13,14,16)
InChIKeyGPFUVOVZLWRSAK-UHFFFAOYSA-N
XLogP-0.94
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136752203
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
CID 136958573
4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979289
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009356
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
4-[(2-amino-1-cyclopropylethyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979137
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
4-[2-ethoxyethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009852
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972739

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 137008122) is 4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(CCN)CCN)cc(=O)[nH]1.
What is the InChIKey of 4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is GPFUVOVZLWRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-2-8-13-9(7-10(16)14-8)15(5-3-11)6-4-12/h7H,2-6,11-12H2,1H3,(H,13,14,16).
What are the key properties of 4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 225.30 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).