(2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one

C16H24F3N5O — CID 122632302

IUPAC(2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one
SMILESCc1nc(C(F)(F)F)nc(N)c1CCC1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C16H24F3N5O/c1-9(20)14(25)24-7-5-11(6-8-24)3-4-12-10(2)22-15(16(17,18)19)23-13(12)21/h9,11H,3-8,20H2,1-2H3,(H2,21,22,23)/t9-/m0/s1
InChIKeyFSCOTZFLKPZDIC-VIFPVBQESA-N
MW359.40 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one (PubChem CID 122632302) has the molecular formula C16H24F3N5O and a molecular weight of 359.40 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one
PubChem CID122632302
Molecular FormulaC16H24F3N5O
Molecular Weight359.40 g/mol
Exact Mass359.19
IUPAC Name(2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one
SMILESCc1nc(C(F)(F)F)nc(N)c1CCC1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C16H24F3N5O/c1-9(20)14(25)24-7-5-11(6-8-24)3-4-12-10(2)22-15(16(17,18)19)23-13(12)21/h9,11H,3-8,20H2,1-2H3,(H2,21,22,23)/t9-/m0/s1
InChIKeyFSCOTZFLKPZDIC-VIFPVBQESA-N
XLogP1.90
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one (CID 122632302) is (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one is Cc1nc(C(F)(F)F)nc(N)c1CCC1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is FSCOTZFLKPZDIC-VIFPVBQESA-N. The full InChI is InChI=1S/C16H24F3N5O/c1-9(20)14(25)24-7-5-11(6-8-24)3-4-12-10(2)22-15(16(17,18)19)23-13(12)21/h9,11H,3-8,20H2,1-2H3,(H2,21,22,23)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 359.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 122632302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).