2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone

C11H16ClN5O — CID 106811767

IUPAC2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1ncnc(N)c1Cl
InChIInChI=1S/C11H16ClN5O/c1-16(6-8(18)17-4-2-3-5-17)11-9(12)10(13)14-7-15-11/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyFRJBMPJHUOYVAN-UHFFFAOYSA-N
MW269.74 g/mol
LogP0.77
Rot. Bonds3

About 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone

2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 106811767) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID106811767
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1ncnc(N)c1Cl
InChIInChI=1S/C11H16ClN5O/c1-16(6-8(18)17-4-2-3-5-17)11-9(12)10(13)14-7-15-11/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyFRJBMPJHUOYVAN-UHFFFAOYSA-N
XLogP0.77
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 63728798
2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]acetic acid
CID 120965324
2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438253
2-(6-amino-5-chloropyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 114236383
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 55228921
2-(2-amino-4-chloro-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438204
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 102756695
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 80986681
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 112698994
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 102756697
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 103076346

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone (CID 106811767) is 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)c1ncnc(N)c1Cl.
What is the InChIKey of 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is FRJBMPJHUOYVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-16(6-8(18)17-4-2-3-5-17)11-9(12)10(13)14-7-15-11/h7H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 269.74 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 106811767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).