5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one

C10H17N5O — CID 136880710

IUPAC5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2N)C1CN
InChIInChI=1S/C10H17N5O/c1-6-2-3-15(7(6)4-11)9-8(12)10(16)14-5-13-9/h5-7H,2-4,11-12H2,1H3,(H,13,14,16)
InChIKeyHIBBMMOIXABEKA-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.47
Rot. Bonds2

About 5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136880710) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136880710
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2N)C1CN
InChIInChI=1S/C10H17N5O/c1-6-2-3-15(7(6)4-11)9-8(12)10(16)14-5-13-9/h5-7H,2-4,11-12H2,1H3,(H,13,14,16)
InChIKeyHIBBMMOIXABEKA-UHFFFAOYSA-N
XLogP-0.47
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974112
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 137148918
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
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
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
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 136687962

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136880710) is 5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one is CC1CCN(c2nc[nH]c(=O)c2N)C1CN.
What is the InChIKey of 5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is HIBBMMOIXABEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6-2-3-15(7(6)4-11)9-8(12)10(16)14-5-13-9/h5-7H,2-4,11-12H2,1H3,(H,13,14,16).
What are the key properties of 5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136880710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).