N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine

C18H19ClF3N5 — CID 172904106

IUPACN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C18H19ClF3N5/c1-26(15-4-6-23-16(25-15)11-2-3-11)13-5-7-27(10-13)17-14(19)8-12(9-24-17)18(20,21)22/h4,6,8-9,11,13H,2-3,5,7,10H2,1H3
InChIKeyNDQVRTPRZZIJAS-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.14
Rot. Bonds4

About N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 172904106) has the molecular formula C18H19ClF3N5 and a molecular weight of 397.83 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID172904106
Molecular FormulaC18H19ClF3N5
Molecular Weight397.83 g/mol
Exact Mass397.13
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C18H19ClF3N5/c1-26(15-4-6-23-16(25-15)11-2-3-11)13-5-7-27(10-13)17-14(19)8-12(9-24-17)18(20,21)22/h4,6,8-9,11,13H,2-3,5,7,10H2,1H3
InChIKeyNDQVRTPRZZIJAS-UHFFFAOYSA-N
XLogP4.14
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 172904596
4-[3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]pyrrolidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 172902269
2-[4-[(2-cyclopropylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 172904606
N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 172904044
2-cyclopropyl-N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172901438
2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904384
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
CID 71643949
2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172892095
3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 95766117
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
4-bromo-2-[3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]pyrrolidin-1-yl]benzonitrile
CID 172902299

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine (CID 172904106) is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine is CN(c1ccnc(C2CC2)n1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is NDQVRTPRZZIJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N5/c1-26(15-4-6-23-16(25-15)11-2-3-11)13-5-7-27(10-13)17-14(19)8-12(9-24-17)18(20,21)22/h4,6,8-9,11,13H,2-3,5,7,10H2,1H3.
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 397.83 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 172904106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).