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

C9H15N5O — CID 136734042

IUPAC5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(Nc2nc[nH]c(=O)c2N)CCNC1
InChIInChI=1S/C9H15N5O/c1-9(2-3-11-4-9)14-7-6(10)8(15)13-5-12-7/h5,11H,2-4,10H2,1H3,(H2,12,13,14,15)
InChIKeyQEAQVSHVDRAZTR-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.48
Rot. Bonds2

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

5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136734042) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136734042
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(Nc2nc[nH]c(=O)c2N)CCNC1
InChIInChI=1S/C9H15N5O/c1-9(2-3-11-4-9)14-7-6(10)8(15)13-5-12-7/h5,11H,2-4,10H2,1H3,(H2,12,13,14,15)
InChIKeyQEAQVSHVDRAZTR-UHFFFAOYSA-N
XLogP-0.48
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
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
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2-Amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one
CID 154243833
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one
CID 135709694
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480
5-amino-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135786488
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671886
5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677204
4-(3-amino-4-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136677208
4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677210

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136734042) is 5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is CC1(Nc2nc[nH]c(=O)c2N)CCNC1.
What is the InChIKey of 5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is QEAQVSHVDRAZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-9(2-3-11-4-9)14-7-6(10)8(15)13-5-12-7/h5,11H,2-4,10H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136734042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).