4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine

C14H18F3N5O — CID 164638283

IUPAC4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine
SMILESCOc1ccnc(NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C14H18F3N5O/c1-9(7-19-13-18-5-4-12(20-13)23-3)8-22-11(14(15,16)17)6-10(2)21-22/h4-6,9H,7-8H2,1-3H3,(H,18,19,20)/t9-/m0/s1
InChIKeyRUUMVDNTHMVWNI-VIFPVBQESA-N
MW329.33 g/mol
LogP2.76
Rot. Bonds6

About 4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine

4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine (PubChem CID 164638283) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine
PubChem CID164638283
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine
SMILESCOc1ccnc(NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C14H18F3N5O/c1-9(7-19-13-18-5-4-12(20-13)23-3)8-22-11(14(15,16)17)6-10(2)21-22/h4-6,9H,7-8H2,1-3H3,(H,18,19,20)/t9-/m0/s1
InChIKeyRUUMVDNTHMVWNI-VIFPVBQESA-N
XLogP2.76
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine (CID 164638283) is 4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine is COc1ccnc(NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)n1.
What is the InChIKey of 4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine?
The InChIKey is RUUMVDNTHMVWNI-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-9(7-19-13-18-5-4-12(20-13)23-3)8-22-11(14(15,16)17)6-10(2)21-22/h4-6,9H,7-8H2,1-3H3,(H,18,19,20)/t9-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine?
4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine has a molecular weight of 329.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine is sourced from PubChem (CID 164638283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).