5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C9H15N5O — CID 136677204

IUPAC5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2N)CC1N
InChIInChI=1S/C9H15N5O/c1-5-2-14(3-6(5)10)8-7(11)9(15)13-4-12-8/h4-6H,2-3,10-11H2,1H3,(H,12,13,15)
InChIKeyHVUBXAKIRLZYDI-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.86
Rot. Bonds1

About 5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136677204) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136677204
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2N)CC1N
InChIInChI=1S/C9H15N5O/c1-5-2-14(3-6(5)10)8-7(11)9(15)13-4-12-8/h4-6H,2-3,10-11H2,1H3,(H,12,13,15)
InChIKeyHVUBXAKIRLZYDI-UHFFFAOYSA-N
XLogP-0.86
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[3-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136951449
5-amino-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974112
4-amino-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136393187
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
4-amino-5-[(3-amino-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 169130895
5-Amino-1-(pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 115114260
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135786488
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one hydrochloride
CID 136562356
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
4-(3-amino-4-methylpyrrolidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136677205

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136677204) is 5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one is CC1CN(c2nc[nH]c(=O)c2N)CC1N.
What is the InChIKey of 5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HVUBXAKIRLZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-5-2-14(3-6(5)10)8-7(11)9(15)13-4-12-8/h4-6H,2-3,10-11H2,1H3,(H,12,13,15).
What are the key properties of 5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136677204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).