2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide

C11H13ClF3N5O — CID 138048068

IUPAC2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
SMILESNc1c(NCC(=O)NCC2CC2)nc(Cl)nc1C(F)(F)F
InChIInChI=1S/C11H13ClF3N5O/c12-10-19-8(11(13,14)15)7(16)9(20-10)18-4-6(21)17-3-5-1-2-5/h5H,1-4,16H2,(H,17,21)(H,18,19,20)
InChIKeyAEGAKFRXBAGFQC-UHFFFAOYSA-N
MW323.71 g/mol
LogP1.67
Rot. Bonds5

About 2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide

2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide (PubChem CID 138048068) has the molecular formula C11H13ClF3N5O and a molecular weight of 323.71 g/mol. Its IUPAC name is 2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
PubChem CID138048068
Molecular FormulaC11H13ClF3N5O
Molecular Weight323.71 g/mol
Exact Mass323.08
IUPAC Name2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
SMILESNc1c(NCC(=O)NCC2CC2)nc(Cl)nc1C(F)(F)F
InChIInChI=1S/C11H13ClF3N5O/c12-10-19-8(11(13,14)15)7(16)9(20-10)18-4-6(21)17-3-5-1-2-5/h5H,1-4,16H2,(H,17,21)(H,18,19,20)
InChIKeyAEGAKFRXBAGFQC-UHFFFAOYSA-N
XLogP1.67
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide (CID 138048068) is 2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide is Nc1c(NCC(=O)NCC2CC2)nc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is AEGAKFRXBAGFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N5O/c12-10-19-8(11(13,14)15)7(16)9(20-10)18-4-6(21)17-3-5-1-2-5/h5H,1-4,16H2,(H,17,21)(H,18,19,20).
What are the key properties of 2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide?
2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 323.71 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 138048068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).