N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine

C22H32N4O2 — CID 142517727

IUPACN-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
SMILESCCCCNc1ncc2c(OC3CCOCC3)ncc(C3CCCCC3)c2n1
InChIInChI=1S/C22H32N4O2/c1-2-3-11-23-22-25-15-19-20(26-22)18(16-7-5-4-6-8-16)14-24-21(19)28-17-9-12-27-13-10-17/h14-17H,2-13H2,1H3,(H,23,25,26)
InChIKeyRVRZHGIFBASXRB-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.84
Rot. Bonds7

About N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine

N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 142517727) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
PubChem CID142517727
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
SMILESCCCCNc1ncc2c(OC3CCOCC3)ncc(C3CCCCC3)c2n1
InChIInChI=1S/C22H32N4O2/c1-2-3-11-23-22-25-15-19-20(26-22)18(16-7-5-4-6-8-16)14-24-21(19)28-17-9-12-27-13-10-17/h14-17H,2-13H2,1H3,(H,23,25,26)
InChIKeyRVRZHGIFBASXRB-UHFFFAOYSA-N
XLogP4.84
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-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

2-(butylamino)-8-cyclohexyl-6-(oxan-4-yl)pyrido[4,3-d]pyrimidin-5-one
CID 142517752
2-N-butyl-8-cyclohexyl-5-N-(1-methylpiperidin-4-yl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 137419886
8-cyclohexyl-N-[(1S)-3,3-difluorocyclopentyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 137420141
N-[(2S)-1-methoxypropan-2-yl]-5-(oxan-4-yloxy)-8-[(3S)-piperidin-3-yl]pyrido[4,3-d]pyrimidin-2-amine
CID 137420260
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155100440
N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 137420280
5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine
CID 80872902
8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 137409168
4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420345
N-butyl-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-2-amine;cyclohexanol
CID 142517818
4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80870969
4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120004

Frequently Asked Questions

What is the IUPAC name of N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine (CID 142517727) is N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine is CCCCNc1ncc2c(OC3CCOCC3)ncc(C3CCCCC3)c2n1.
What is the InChIKey of N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is RVRZHGIFBASXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-2-3-11-23-22-25-15-19-20(26-22)18(16-7-5-4-6-8-16)14-24-21(19)28-17-9-12-27-13-10-17/h14-17H,2-13H2,1H3,(H,23,25,26).
What are the key properties of N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 384.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 142517727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).