4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

C18H28N4O — CID 86773294

IUPAC4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESc1nc2c(c(N3CCOCC3)n1)CN(CC1CCCCC1)CC2
InChIInChI=1S/C18H28N4O/c1-2-4-15(5-3-1)12-21-7-6-17-16(13-21)18(20-14-19-17)22-8-10-23-11-9-22/h14-15H,1-13H2
InChIKeyRRXVIHYOIWUBJU-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.25
Rot. Bonds3

About 4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (PubChem CID 86773294) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
PubChem CID86773294
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESc1nc2c(c(N3CCOCC3)n1)CN(CC1CCCCC1)CC2
InChIInChI=1S/C18H28N4O/c1-2-4-15(5-3-1)12-21-7-6-17-16(13-21)18(20-14-19-17)22-8-10-23-11-9-22/h14-15H,1-13H2
InChIKeyRRXVIHYOIWUBJU-UHFFFAOYSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (CID 86773294) is 4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is c1nc2c(c(N3CCOCC3)n1)CN(CC1CCCCC1)CC2.
What is the InChIKey of 4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is RRXVIHYOIWUBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-4-15(5-3-1)12-21-7-6-17-16(13-21)18(20-14-19-17)22-8-10-23-11-9-22/h14-15H,1-13H2.
What are the key properties of 4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 316.45 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclohexylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 86773294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).