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

C8H15N5O — CID 137008121

IUPAC4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one
SMILESNCCN(CCN)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H15N5O/c9-1-3-13(4-2-10)7-5-8(14)12-6-11-7/h5-6H,1-4,9-10H2,(H,11,12,14)
InChIKeyNHGIIHXZSNAOLM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.51
Rot. Bonds5

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

4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one (PubChem CID 137008121) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one
PubChem CID137008121
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one
SMILESNCCN(CCN)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H15N5O/c9-1-3-13(4-2-10)7-5-8(14)12-6-11-7/h5-6H,1-4,9-10H2,(H,11,12,14)
InChIKeyNHGIIHXZSNAOLM-UHFFFAOYSA-N
XLogP-1.51
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(aminomethyl)phenyl]methyl-ethylamino]-1H-pyrimidin-6-one
CID 136972726
4-[ethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136504671
4-[(3-aminophenyl)methyl-ethylamino]-1H-pyrimidin-6-one
CID 136979201
4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one
CID 137008785
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
4-[bis(2-aminoethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 137008125
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805325
3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
CID 136972973
3-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]butanethioamide
CID 136973209
4-[2-aminoethyl(ethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008333

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one (CID 137008121) is 4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one is NCCN(CCN)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NHGIIHXZSNAOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c9-1-3-13(4-2-10)7-5-8(14)12-6-11-7/h5-6H,1-4,9-10H2,(H,11,12,14).
What are the key properties of 4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one?
4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of -1.51, 5 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 137008121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).