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

C10H17N5O — CID 136780967

IUPAC5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCN1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O/c1-15(5-7-3-2-4-12-7)9-8(11)10(16)14-6-13-9/h6-7,12H,2-5,11H2,1H3,(H,13,14,16)
InChIKeyCDEOICPPUFKSBM-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.46
Rot. Bonds3

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

5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136780967) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136780967
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC1CCCN1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O/c1-15(5-7-3-2-4-12-7)9-8(11)10(16)14-6-13-9/h6-7,12H,2-5,11H2,1H3,(H,13,14,16)
InChIKeyCDEOICPPUFKSBM-UHFFFAOYSA-N
XLogP-0.46
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.46
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-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136780967) is 5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is CN(CC1CCCN1)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is CDEOICPPUFKSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15(5-7-3-2-4-12-7)9-8(11)10(16)14-6-13-9/h6-7,12H,2-5,11H2,1H3,(H,13,14,16).
What are the key properties of 5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136780967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).