N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine

C19H28N4 — CID 110432349

IUPACN-cyclododecylpyrido[2,3-d]pyrimidin-4-amine
SMILESc1cnc2ncnc(NC3CCCCCCCCCCC3)c2c1
InChIInChI=1S/C19H28N4/c1-2-4-6-8-11-16(12-9-7-5-3-1)23-19-17-13-10-14-20-18(17)21-15-22-19/h10,13-16H,1-9,11-12H2,(H,20,21,22,23)
InChIKeyINMDCVKNXBMLOQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.11
Rot. Bonds2

About N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine

N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 110432349) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclododecylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID110432349
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN-cyclododecylpyrido[2,3-d]pyrimidin-4-amine
SMILESc1cnc2ncnc(NC3CCCCCCCCCCC3)c2c1
InChIInChI=1S/C19H28N4/c1-2-4-6-8-11-16(12-9-7-5-3-1)23-19-17-13-10-14-20-18(17)21-15-22-19/h10,13-16H,1-9,11-12H2,(H,20,21,22,23)
InChIKeyINMDCVKNXBMLOQ-UHFFFAOYSA-N
XLogP5.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine 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-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407209
(1S)-1-cyclopentyl-2-(pyrido[2,3-d]pyrimidin-4-ylamino)ethanol
CID 97326266
N-cyclopentyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 110432237
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871
4-N-cyclohexyl-6-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19135798
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
N-cyclohexylfuro[3,2-c]pyridin-4-amine
CID 103702450
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
3-chloro-N-cyclobutylpyridin-2-amine
CID 62414981
N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 172901042

Frequently Asked Questions

What is the IUPAC name of N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine (CID 110432349) is N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine is c1cnc2ncnc(NC3CCCCCCCCCCC3)c2c1.
What is the InChIKey of N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is INMDCVKNXBMLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-2-4-6-8-11-16(12-9-7-5-3-1)23-19-17-13-10-14-20-18(17)21-15-22-19/h10,13-16H,1-9,11-12H2,(H,20,21,22,23).
What are the key properties of N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine?
N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 312.46 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110432349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).