4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C15H12F3N5 — CID 133408154

IUPAC4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCc3ccc(C(F)(F)F)cc3)ncnc2n1
InChIInChI=1S/C15H12F3N5/c16-15(17,18)10-3-1-9(2-4-10)7-20-13-11-5-6-12(19)23-14(11)22-8-21-13/h1-6,8H,7H2,(H3,19,20,21,22,23)
InChIKeyYUVOYOQWKGQKMK-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.24
Rot. Bonds3

About 4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133408154) has the molecular formula C15H12F3N5 and a molecular weight of 319.29 g/mol. Its IUPAC name is 4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133408154
Molecular FormulaC15H12F3N5
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCc3ccc(C(F)(F)F)cc3)ncnc2n1
InChIInChI=1S/C15H12F3N5/c16-15(17,18)10-3-1-9(2-4-10)7-20-13-11-5-6-12(19)23-14(11)22-8-21-13/h1-6,8H,7H2,(H3,19,20,21,22,23)
InChIKeyYUVOYOQWKGQKMK-UHFFFAOYSA-N
XLogP3.24
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627006
1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea
CID 133409466
N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133408616
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 70854816
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487
4-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409658
4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86805500
3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133409598
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile
CID 71538885
4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409050

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133408154) is 4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NCc3ccc(C(F)(F)F)cc3)ncnc2n1.
What is the InChIKey of 4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is YUVOYOQWKGQKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5/c16-15(17,18)10-3-1-9(2-4-10)7-20-13-11-5-6-12(19)23-14(11)22-8-21-13/h1-6,8H,7H2,(H3,19,20,21,22,23).
What are the key properties of 4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 319.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133408154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).