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'}

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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).