5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one

C10H17N5O — CID 136978128

IUPAC5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCNC2)nc[nH]c1=O
InChIInChI=1S/C10H17N5O/c11-8-9(14-6-15-10(8)16)13-4-2-7-1-3-12-5-7/h6-7,12H,1-5,11H2,(H2,13,14,15,16)
InChIKeyJCFPNHXRIBNZJN-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.24
Rot. Bonds4

About 5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136978128) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136978128
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCC2CCNC2)nc[nH]c1=O
InChIInChI=1S/C10H17N5O/c11-8-9(14-6-15-10(8)16)13-4-2-7-1-3-12-5-7/h6-7,12H,1-5,11H2,(H2,13,14,15,16)
InChIKeyJCFPNHXRIBNZJN-UHFFFAOYSA-N
XLogP-0.24
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 ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
5-bromo-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978124
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one
CID 137012703
5-chloro-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978823
5-iodo-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978824
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357
5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136974194
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542
5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574
5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974394

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one (CID 136978128) is 5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one is Nc1c(NCCC2CCNC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is JCFPNHXRIBNZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-8-9(14-6-15-10(8)16)13-4-2-7-1-3-12-5-7/h6-7,12H,1-5,11H2,(H2,13,14,15,16).
What are the key properties of 5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -0.24, 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-3-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136978128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).