N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine

C18H20ClF3N4 — CID 112900889

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C18H20ClF3N4/c1-2-13-5-3-4-10-26(13)16-8-9-23-17(25-16)24-15-11-12(18(20,21)22)6-7-14(15)19/h6-9,11,13H,2-5,10H2,1H3,(H,23,24,25)
InChIKeyVQPKTTUTYPTCMB-UHFFFAOYSA-N
MW384.83 g/mol
LogP5.66
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112900889) has the molecular formula C18H20ClF3N4 and a molecular weight of 384.83 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112900889
Molecular FormulaC18H20ClF3N4
Molecular Weight384.83 g/mol
Exact Mass384.13
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C18H20ClF3N4/c1-2-13-5-3-4-10-26(13)16-8-9-23-17(25-16)24-15-11-12(18(20,21)22)6-7-14(15)19/h6-9,11,13H,2-5,10H2,1H3,(H,23,24,25)
InChIKeyVQPKTTUTYPTCMB-UHFFFAOYSA-N
XLogP5.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.83
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900912
N-(2,4-dimethylphenyl)-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112900838
4-N,4-N-diethyl-1-N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-2-methylbenzene-1,4-diamine
CID 112900923
N-(2,5-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960460
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960456
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
N-(2,4-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960459
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22541163
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-pentylpyrimidine-2,4-diamine
CID 112900400
4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112893334
[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302324

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine (CID 112900889) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine is CCC1CCCCN1c1ccnc(Nc2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is VQPKTTUTYPTCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4/c1-2-13-5-3-4-10-26(13)16-8-9-23-17(25-16)24-15-11-12(18(20,21)22)6-7-14(15)19/h6-9,11,13H,2-5,10H2,1H3,(H,23,24,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 384.83 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112900889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).