6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine

C16H13F3N6 — CID 19709314

IUPAC6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESFC(F)(F)c1cccc(Nc2ncnc3cnc(NC4CC4)nc23)c1
InChIInChI=1S/C16H13F3N6/c17-16(18,19)9-2-1-3-11(6-9)23-14-13-12(21-8-22-14)7-20-15(25-13)24-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,20,24,25)(H,21,22,23)
InChIKeyLRQWYMJXSTWBBX-UHFFFAOYSA-N
MW346.32 g/mol
LogP3.76
Rot. Bonds4

About 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine

6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 19709314) has the molecular formula C16H13F3N6 and a molecular weight of 346.32 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID19709314
Molecular FormulaC16H13F3N6
Molecular Weight346.32 g/mol
Exact Mass346.12
IUPAC Name6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESFC(F)(F)c1cccc(Nc2ncnc3cnc(NC4CC4)nc23)c1
InChIInChI=1S/C16H13F3N6/c17-16(18,19)9-2-1-3-11(6-9)23-14-13-12(21-8-22-14)7-20-15(25-13)24-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,20,24,25)(H,21,22,23)
InChIKeyLRQWYMJXSTWBBX-UHFFFAOYSA-N
XLogP3.76
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine 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

6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709115
4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol
CID 19709147
4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709325
4-N-(3-ethynylphenyl)-6-N-piperidin-4-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709082
4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbaldehyde
CID 18967384
4-N-(3-bromophenyl)-6-N-piperidin-3-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 54440990
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 6918508
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
[4-[[4-(3-nitroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 19709437
ethyl 2-[[4-[[4-(3-chloroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexyl]amino]acetate
CID 54391019
N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 170560489
4-N-(3-chlorophenyl)-6-N-[1-[[methoxy(methyl)phosphoryl]methyl]piperidin-4-yl]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 57009604

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine (CID 19709314) is 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine is FC(F)(F)c1cccc(Nc2ncnc3cnc(NC4CC4)nc23)c1.
What is the InChIKey of 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is LRQWYMJXSTWBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6/c17-16(18,19)9-2-1-3-11(6-9)23-14-13-12(21-8-22-14)7-20-15(25-13)24-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,20,24,25)(H,21,22,23).
What are the key properties of 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine?
6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 346.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 19709314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).