N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine

C24H28F3N7 — CID 170156133

IUPACN-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESNc1cc(CCNc2nc(N3CCCC3)nc3cnc(N4CCCC4)cc23)cc(C(F)(F)F)c1
InChIInChI=1S/C24H28F3N7/c25-24(26,27)17-11-16(12-18(28)13-17)5-6-29-22-19-14-21(33-7-1-2-8-33)30-15-20(19)31-23(32-22)34-9-3-4-10-34/h11-15H,1-10,28H2,(H,29,31,32)
InChIKeyQVPLNXVPFCNSRP-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.48
Rot. Bonds6

About N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine

N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 170156133) has the molecular formula C24H28F3N7 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID170156133
Molecular FormulaC24H28F3N7
Molecular Weight471.53 g/mol
Exact Mass471.24
IUPAC NameN-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESNc1cc(CCNc2nc(N3CCCC3)nc3cnc(N4CCCC4)cc23)cc(C(F)(F)F)c1
InChIInChI=1S/C24H28F3N7/c25-24(26,27)17-11-16(12-18(28)13-17)5-6-29-22-19-14-21(33-7-1-2-8-33)30-15-20(19)31-23(32-22)34-9-3-4-10-34/h11-15H,1-10,28H2,(H,29,31,32)
InChIKeyQVPLNXVPFCNSRP-UHFFFAOYSA-N
XLogP4.48
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 170156456
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(azetidin-1-yl)-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 176726156
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 176726175
N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-chloro-3-(4-ethylpiperazin-1-yl)-1,6-naphthyridin-5-amine
CID 170155884
2-N,2-N-dimethyl-6-morpholin-4-yl-4-N-[2-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidine-2,4-diamine
CID 170156089
2-amino-N-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]acetamide;hydrochloride
CID 175865743
4-N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(4-fluoropiperidin-1-yl)-2-N-methylpyrido[3,4-d]pyrimidine-2,4-diamine
CID 176726100
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-(4-cyclopropylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 176726101
4-[4-[1-[3-amino-5-(trifluoromethyl)phenyl]ethylamino]-2-(methylamino)pyrido[3,4-d]pyrimidin-6-yl]morpholin-3-one;N-[4-[1-[3-amino-5-(trifluoromethyl)phenyl]ethylamino]-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]-3-(methylamino)propanamide
CID 170171269
N-[(3S)-1-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-yl]acetamide
CID 163365469
6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 173133421
N-butyl-6,7-dimethoxy-2-pyrrolidin-1-ylquinazolin-4-amine
CID 162652644

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine (CID 170156133) is N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine is Nc1cc(CCNc2nc(N3CCCC3)nc3cnc(N4CCCC4)cc23)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is QVPLNXVPFCNSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N7/c25-24(26,27)17-11-16(12-18(28)13-17)5-6-29-22-19-14-21(33-7-1-2-8-33)30-15-20(19)31-23(32-22)34-9-3-4-10-34/h11-15H,1-10,28H2,(H,29,31,32).
What are the key properties of N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine?
N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 471.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,6-dipyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 170156133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).