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

C15H23N5O — CID 80986681

IUPAC2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1c(N)nc(C2CC2)nc1N(C)CC(=O)N1CCCC1
InChIInChI=1S/C15H23N5O/c1-10-13(16)17-14(11-5-6-11)18-15(10)19(2)9-12(21)20-7-3-4-8-20/h11H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyDLLPVKUJRJZHMB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.30
Rot. Bonds4

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

2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 80986681) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID80986681
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1c(N)nc(C2CC2)nc1N(C)CC(=O)N1CCCC1
InChIInChI=1S/C15H23N5O/c1-10-13(16)17-14(11-5-6-11)18-15(10)19(2)9-12(21)20-7-3-4-8-20/h11H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyDLLPVKUJRJZHMB-UHFFFAOYSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone (CID 80986681) is 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone is Cc1c(N)nc(C2CC2)nc1N(C)CC(=O)N1CCCC1.
What is the InChIKey of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is DLLPVKUJRJZHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-13(16)17-14(11-5-6-11)18-15(10)19(2)9-12(21)20-7-3-4-8-20/h11H,3-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 289.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 80986681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).