5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile

C15H14F3N7 — CID 151835597

IUPAC5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(NC3CCNC3)cc(C(F)(F)F)n2)cn1
InChIInChI=1S/C15H14F3N7/c16-15(17,18)12-5-13(22-11-3-4-20-7-11)25-14(24-12)23-10-2-1-9(6-19)21-8-10/h1-2,5,8,11,20H,3-4,7H2,(H2,22,23,24,25)
InChIKeySFOSSKDETKGKHW-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.28
Rot. Bonds4

About 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile

5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 151835597) has the molecular formula C15H14F3N7 and a molecular weight of 349.32 g/mol. Its IUPAC name is 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
PubChem CID151835597
Molecular FormulaC15H14F3N7
Molecular Weight349.32 g/mol
Exact Mass349.13
IUPAC Name5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(NC3CCNC3)cc(C(F)(F)F)n2)cn1
InChIInChI=1S/C15H14F3N7/c16-15(17,18)12-5-13(22-11-3-4-20-7-11)25-14(24-12)23-10-2-1-9(6-19)21-8-10/h1-2,5,8,11,20H,3-4,7H2,(H2,22,23,24,25)
InChIKeySFOSSKDETKGKHW-UHFFFAOYSA-N
XLogP2.28
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-[[4-(pyrrolidin-3-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150547999
5-(piperidin-3-ylamino)pyridine-2-carbonitrile
CID 115490388
5-[[4-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150367898
5-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;hydrochloride
CID 62707276
4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82191941
N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 94417648
7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932124
2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
CID 71643662
4-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114567424
4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile
CID 152510354
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
4-N-cyclopropyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563830

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile (CID 151835597) is 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2nc(NC3CCNC3)cc(C(F)(F)F)n2)cn1.
What is the InChIKey of 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is SFOSSKDETKGKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7/c16-15(17,18)12-5-13(22-11-3-4-20-7-11)25-14(24-12)23-10-2-1-9(6-19)21-8-10/h1-2,5,8,11,20H,3-4,7H2,(H2,22,23,24,25).
What are the key properties of 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 349.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 151835597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).