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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Related Compounds

7-(cyclohexylmethyl)-4-(4-cyclohexylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 143595596
4-(4-cyclohexylpiperazin-1-yl)-7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 143595343
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
N-[(1S)-1-cyclopropylethyl]-2-(4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 95145067
4-[6-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 86773300
4-(azepan-1-yl)-6-(cyclohexylmethyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 3286791
4-(cyclohexylmethyl)morpholine
CID 641545
4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine
CID 152780292
5-(cyclohexylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 91033036
4-[7-(cyclopropylmethyl)-2-(furan-2-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]morpholine
CID 56897052
(4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-(oxolan-3-yl)methanone
CID 131638653
4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
CID 70754334

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).