2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide

C11H17ClN4O — CID 80954060

IUPAC2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
SMILESCC(C)c1nc(Cl)cc(NCC(=O)N(C)C)n1
InChIInChI=1S/C11H17ClN4O/c1-7(2)11-14-8(12)5-9(15-11)13-6-10(17)16(3)4/h5,7H,6H2,1-4H3,(H,13,14,15)
InChIKeyGPBUQKMWERNQRQ-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.75
Rot. Bonds4

About 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide

2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide (PubChem CID 80954060) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
PubChem CID80954060
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
SMILESCC(C)c1nc(Cl)cc(NCC(=O)N(C)C)n1
InChIInChI=1S/C11H17ClN4O/c1-7(2)11-14-8(12)5-9(15-11)13-6-10(17)16(3)4/h5,7H,6H2,1-4H3,(H,13,14,15)
InChIKeyGPBUQKMWERNQRQ-UHFFFAOYSA-N
XLogP1.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.75
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-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide (CID 80954060) is 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide is CC(C)c1nc(Cl)cc(NCC(=O)N(C)C)n1.
What is the InChIKey of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The InChIKey is GPBUQKMWERNQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7(2)11-14-8(12)5-9(15-11)13-6-10(17)16(3)4/h5,7H,6H2,1-4H3,(H,13,14,15).
What are the key properties of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide?
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide has a molecular weight of 256.74 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 80954060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).