(2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide

C14H21F3N4O — CID 56861290

IUPAC(2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)[C@H](N)CC(C)C)n1
InChIInChI=1S/C14H21F3N4O/c1-8(2)6-10(18)13(22)19-5-4-12-20-9(3)7-11(21-12)14(15,16)17/h7-8,10H,4-6,18H2,1-3H3,(H,19,22)/t10-/m1/s1
InChIKeyFAFPCQOZIBDTMJ-SNVBAGLBSA-N
MW318.34 g/mol
LogP1.84
Rot. Bonds6

About (2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide

(2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide (PubChem CID 56861290) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide
PubChem CID56861290
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name(2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)[C@H](N)CC(C)C)n1
InChIInChI=1S/C14H21F3N4O/c1-8(2)6-10(18)13(22)19-5-4-12-20-9(3)7-11(21-12)14(15,16)17/h7-8,10H,4-6,18H2,1-3H3,(H,19,22)/t10-/m1/s1
InChIKeyFAFPCQOZIBDTMJ-SNVBAGLBSA-N
XLogP1.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide (CID 56861290) is (2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H](N)CC(C)C)n1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide?
The InChIKey is FAFPCQOZIBDTMJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-8(2)6-10(18)13(22)19-5-4-12-20-9(3)7-11(21-12)14(15,16)17/h7-8,10H,4-6,18H2,1-3H3,(H,19,22)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide?
(2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide has a molecular weight of 318.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pentanamide is sourced from PubChem (CID 56861290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).