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

C18H21N5O — CID 133409681

IUPAC4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCC(C)c1ccc(OCCNc2ncnc3nc(N)ccc23)cc1
InChIInChI=1S/C18H21N5O/c1-12(2)13-3-5-14(6-4-13)24-10-9-20-17-15-7-8-16(19)23-18(15)22-11-21-17/h3-8,11-12H,9-10H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyVLACJPDAZHPREI-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.22
Rot. Bonds6

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

4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133409681) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133409681
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCC(C)c1ccc(OCCNc2ncnc3nc(N)ccc23)cc1
InChIInChI=1S/C18H21N5O/c1-12(2)13-3-5-14(6-4-13)24-10-9-20-17-15-7-8-16(19)23-18(15)22-11-21-17/h3-8,11-12H,9-10H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyVLACJPDAZHPREI-UHFFFAOYSA-N
XLogP3.22
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-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

4-N-[2-(3-chlorophenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409618
4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 154866636
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
[4-[2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]methanol
CID 133434894
4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86805430
4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407492
4-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407874
4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133431146
2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 133407832
4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133449329

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133409681) is 4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is CC(C)c1ccc(OCCNc2ncnc3nc(N)ccc23)cc1.
What is the InChIKey of 4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is VLACJPDAZHPREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(2)13-3-5-14(6-4-13)24-10-9-20-17-15-7-8-16(19)23-18(15)22-11-21-17/h3-8,11-12H,9-10H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 323.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133409681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).