5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

C13H23N5O — CID 136781008

IUPAC5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCCCN(CC1CCCN1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C13H23N5O/c1-2-3-7-18(8-10-5-4-6-15-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8,14H2,1H3,(H,16,17,19)
InChIKeyLMRLVXJSFFSGOJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.71
Rot. Bonds6

About 5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one

5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136781008) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136781008
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCCCN(CC1CCCN1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C13H23N5O/c1-2-3-7-18(8-10-5-4-6-15-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8,14H2,1H3,(H,16,17,19)
InChIKeyLMRLVXJSFFSGOJ-UHFFFAOYSA-N
XLogP0.71
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
3,7-Dimethyl-7-[5-(methylamino)hexyl]purin-7-ium-2,6-dione
CID 54114422
7-(5-Aminohexyl)-3,7-dimethylpurin-7-ium-2,6-dione
CID 54534836
9-Cyclopentyl-1-propyl-7,8-dihydropurin-6-one
CID 67194830
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
4-(methylamino)-5-(octylamino)-1H-pyrimidin-6-one
CID 136348154
4-amino-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136393187
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 136477508
2,5-diamino-4-[[(1S)-1-aminopentyl]amino]-1H-pyrimidin-6-one
CID 140365223

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136781008) is 5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CCCCN(CC1CCCN1)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LMRLVXJSFFSGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-3-7-18(8-10-5-4-6-15-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8,14H2,1H3,(H,16,17,19).
What are the key properties of 5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136781008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).