5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one

C11H19N5O — CID 136827334

IUPAC5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
SMILESNCCCN(c1nc[nH]c(=O)c1N)C1CCC1
InChIInChI=1S/C11H19N5O/c12-5-2-6-16(8-3-1-4-8)10-9(13)11(17)15-7-14-10/h7-8H,1-6,12-13H2,(H,14,15,17)
InChIKeyTVLCJYYMZHSJQN-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.06
Rot. Bonds5

About 5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136827334) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
PubChem CID136827334
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
SMILESNCCCN(c1nc[nH]c(=O)c1N)C1CCC1
InChIInChI=1S/C11H19N5O/c12-5-2-6-16(8-3-1-4-8)10-9(13)11(17)15-7-14-10/h7-8H,1-6,12-13H2,(H,14,15,17)
InChIKeyTVLCJYYMZHSJQN-UHFFFAOYSA-N
XLogP0.06
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-dimethylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136035310
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
Methylenetetrahydromethanopterin
CID 135886615
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
2-Amino-3,6,7,8-tetramethyl-5,6,7,8-tetrahydropteridin-4(3H)-one
CID 71410793
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-amino-4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 135575730
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one (CID 136827334) is 5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one is NCCCN(c1nc[nH]c(=O)c1N)C1CCC1.
What is the InChIKey of 5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is TVLCJYYMZHSJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-5-2-6-16(8-3-1-4-8)10-9(13)11(17)15-7-14-10/h7-8H,1-6,12-13H2,(H,14,15,17).
What are the key properties of 5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136827334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).