5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one

C10H17N5O — CID 137012703

IUPAC5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCCN2)nc[nH]c1=O
InChIInChI=1S/C10H17N5O/c11-8-9(14-6-15-10(8)16)13-5-3-7-2-1-4-12-7/h6-7,12H,1-5,11H2,(H2,13,14,15,16)
InChIKeyPYRHKCANSQVQPP-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.09
Rot. Bonds4

About 5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 137012703) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one
PubChem CID137012703
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCCN2)nc[nH]c1=O
InChIInChI=1S/C10H17N5O/c11-8-9(14-6-15-10(8)16)13-5-3-7-2-1-4-12-7/h6-7,12H,1-5,11H2,(H2,13,14,15,16)
InChIKeyPYRHKCANSQVQPP-UHFFFAOYSA-N
XLogP-0.09
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879289
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978128
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357
3-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973363
5-amino-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137004380
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542
3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107
5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973134
5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136974194

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one (CID 137012703) is 5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one is Nc1c(NCCC2CCCN2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is PYRHKCANSQVQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-8-9(14-6-15-10(8)16)13-5-3-7-2-1-4-12-7/h6-7,12H,1-5,11H2,(H2,13,14,15,16).
What are the key properties of 5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137012703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).