4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine

C18H21N5 — CID 70955682

IUPAC4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N)nc2nc(-c3c(C)cc(C)cc3C)ccc12
InChIInChI=1S/C18H21N5/c1-5-20-16-13-6-7-14(21-17(13)23-18(19)22-16)15-11(3)8-10(2)9-12(15)4/h6-9H,5H2,1-4H3,(H3,19,20,21,22,23)
InChIKeySIOAXPOQNSSJOR-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.63
Rot. Bonds3

About 4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine

4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 70955682) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID70955682
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N)nc2nc(-c3c(C)cc(C)cc3C)ccc12
InChIInChI=1S/C18H21N5/c1-5-20-16-13-6-7-14(21-17(13)23-18(19)22-16)15-11(3)8-10(2)9-12(15)4/h6-9H,5H2,1-4H3,(H3,19,20,21,22,23)
InChIKeySIOAXPOQNSSJOR-UHFFFAOYSA-N
XLogP3.63
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 15983856
7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 15983855
1-N-ethyl-3-methylisoquinoline-1,5-diamine
CID 82570736
4-N-ethyl-5,6-dimethylpyrimidine-2,4-diamine
CID 137384091
N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66000022
azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 87855847
2-chloro-7-(2-methoxy-4,6-dimethylphenyl)-4-methylpyrido[2,3-d]pyrimidine
CID 171085788
2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine
CID 171085729
7-[2-chloro-3-(iodomethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 89386167
7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 15983724
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39830512

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine (CID 70955682) is 4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N)nc2nc(-c3c(C)cc(C)cc3C)ccc12.
What is the InChIKey of 4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SIOAXPOQNSSJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-5-20-16-13-6-7-14(21-17(13)23-18(19)22-16)15-11(3)8-10(2)9-12(15)4/h6-9H,5H2,1-4H3,(H3,19,20,21,22,23).
What are the key properties of 4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 307.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 70955682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).