2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide

C14H21ClN4O — CID 80971413

IUPAC2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCc1c(Cl)nc(C2CC2)nc1N(C)CC(=O)NC(C)C
InChIInChI=1S/C14H21ClN4O/c1-8(2)16-11(20)7-19(4)14-9(3)12(15)17-13(18-14)10-5-6-10/h8,10H,5-7H2,1-4H3,(H,16,20)
InChIKeyMTBWJHBUKUBLBH-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.28
Rot. Bonds5

About 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide

2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 80971413) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID80971413
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCc1c(Cl)nc(C2CC2)nc1N(C)CC(=O)NC(C)C
InChIInChI=1S/C14H21ClN4O/c1-8(2)16-11(20)7-19(4)14-9(3)12(15)17-13(18-14)10-5-6-10/h8,10H,5-7H2,1-4H3,(H,16,20)
InChIKeyMTBWJHBUKUBLBH-UHFFFAOYSA-N
XLogP2.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide (CID 80971413) is 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide is Cc1c(Cl)nc(C2CC2)nc1N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is MTBWJHBUKUBLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-8(2)16-11(20)7-19(4)14-9(3)12(15)17-13(18-14)10-5-6-10/h8,10H,5-7H2,1-4H3,(H,16,20).
What are the key properties of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 296.80 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80971413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).