4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C19H28N6O — CID 44592072

IUPAC4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESc1nc(NC2CCCCC2)c2cc(NCCN3CCOCC3)ncc2n1
InChIInChI=1S/C19H28N6O/c1-2-4-15(5-3-1)24-19-16-12-18(21-13-17(16)22-14-23-19)20-6-7-25-8-10-26-11-9-25/h12-15H,1-11H2,(H,20,21)(H,22,23,24)
InChIKeyQACKSTAQWHEHPY-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.51
Rot. Bonds6

About 4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 44592072) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID44592072
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESc1nc(NC2CCCCC2)c2cc(NCCN3CCOCC3)ncc2n1
InChIInChI=1S/C19H28N6O/c1-2-4-15(5-3-1)24-19-16-12-18(21-13-17(16)22-14-23-19)20-6-7-25-8-10-26-11-9-25/h12-15H,1-11H2,(H,20,21)(H,22,23,24)
InChIKeyQACKSTAQWHEHPY-UHFFFAOYSA-N
XLogP2.51
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 44592072) is 4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is c1nc(NC2CCCCC2)c2cc(NCCN3CCOCC3)ncc2n1.
What is the InChIKey of 4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is QACKSTAQWHEHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-2-4-15(5-3-1)24-19-16-12-18(21-13-17(16)22-14-23-19)20-6-7-25-8-10-26-11-9-25/h12-15H,1-11H2,(H,20,21)(H,22,23,24).
What are the key properties of 4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 356.47 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-(2-morpholin-4-ylethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 44592072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).