LNUMKTDWDOCBHB-KRWDZBQOSA-N

Name: LNUMKTDWDOCBHB-KRWDZBQOSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₃F₃N₄O — CID 135390514

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2S)-2,4-dimethyl-1-[[6-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine

SMILESCc1nccc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)n2)n1

InChIInChI=1S/C18H23F3N4O/c1-11(2)9-17(4,22)10-26-15-6-5-13(25-16(15)18(19,20)21)14-7-8-23-12(3)24-14/h5-8,11H,9-10,22H2,1-4H3/t17-/m0/s1

InChIKeyLNUMKTDWDOCBHB-KRWDZBQOSA-N

MW368.40 g/mol

LogP4.01

Rot. Bonds6

About LNUMKTDWDOCBHB-KRWDZBQOSA-N

LNUMKTDWDOCBHB-KRWDZBQOSA-N (PubChem CID 135390514) has the molecular formula C₁₈H₂₃F₃N₄O and a molecular weight of 368.40 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-[[6-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine.

Molecular Properties

Compound Name	LNUMKTDWDOCBHB-KRWDZBQOSA-N
PubChem CID	135390514
Molecular Formula	C₁₈H₂₃F₃N₄O
Molecular Weight	368.40 g/mol
Exact Mass	368.18
IUPAC Name	(2S)-2,4-dimethyl-1-[[6-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
SMILES	Cc1nccc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)n2)n1
InChI	InChI=1S/C18H23F3N4O/c1-11(2)9-17(4,22)10-26-15-6-5-13(25-16(15)18(19,20)21)14-7-8-23-12(3)24-14/h5-8,11H,9-10,22H2,1-4H3/t17-/m0/s1
InChIKey	LNUMKTDWDOCBHB-KRWDZBQOSA-N
XLogP	4.01
TPSA	73.92 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.40
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of LNUMKTDWDOCBHB-KRWDZBQOSA-N?

The IUPAC name of LNUMKTDWDOCBHB-KRWDZBQOSA-N (CID 135390514) is (2S)-2,4-dimethyl-1-[[6-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine.

What is the SMILES notation for LNUMKTDWDOCBHB-KRWDZBQOSA-N?

The canonical SMILES for LNUMKTDWDOCBHB-KRWDZBQOSA-N is Cc1nccc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)n2)n1.

What is the InChIKey of LNUMKTDWDOCBHB-KRWDZBQOSA-N?

The InChIKey is LNUMKTDWDOCBHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-11(2)9-17(4,22)10-26-15-6-5-13(25-16(15)18(19,20)21)14-7-8-23-12(3)24-14/h5-8,11H,9-10,22H2,1-4H3/t17-/m0/s1.

What are the key properties of LNUMKTDWDOCBHB-KRWDZBQOSA-N?

LNUMKTDWDOCBHB-KRWDZBQOSA-N has a molecular weight of 368.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for LNUMKTDWDOCBHB-KRWDZBQOSA-N is sourced from PubChem (CID 135390514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 135390514 — identifiers, structure, computed properties (public domain)

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