4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C14H21N3 — CID 106779446

IUPAC4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1CCC(c2ncnc3c2CNCC3)CC1
InChIInChI=1S/C14H21N3/c1-10-2-4-11(5-3-10)14-12-8-15-7-6-13(12)16-9-17-14/h9-11,15H,2-8H2,1H3
InChIKeyWHTSSWKDZPZRRO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.42
Rot. Bonds1

About 4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 106779446) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID106779446
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1CCC(c2ncnc3c2CNCC3)CC1
InChIInChI=1S/C14H21N3/c1-10-2-4-11(5-3-10)14-12-8-15-7-6-13(12)16-9-17-14/h9-11,15H,2-8H2,1H3
InChIKeyWHTSSWKDZPZRRO-UHFFFAOYSA-N
XLogP2.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 121229610
4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739202
4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline
CID 83849258
4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 102612202
N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 82740147
4-(1-methylaziridin-1-ium-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 163961552
N-methyl-N-(oxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 82739319
N,N-dimethyl-1-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 81223026
4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106778698
4-pentoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223650
4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223033
4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739325

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 106779446) is 4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC1CCC(c2ncnc3c2CNCC3)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is WHTSSWKDZPZRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10-2-4-11(5-3-10)14-12-8-15-7-6-13(12)16-9-17-14/h9-11,15H,2-8H2,1H3.
What are the key properties of 4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 231.34 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 106779446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).