4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

C24H33N3O2 — CID 66995787

IUPAC4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(-c3ccc(OC(C)C)cc3)c(OC3CCC3)n2)CC1
InChIInChI=1S/C24H33N3O2/c1-16(2)28-21-13-9-18(10-14-21)22-15-25-24(26-19-11-7-17(3)8-12-19)27-23(22)29-20-5-4-6-20/h9-10,13-17,19-20H,4-8,11-12H2,1-3H3,(H,25,26,27)
InChIKeyMTQWJEKSLJNGOK-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.85
Rot. Bonds7

About 4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (PubChem CID 66995787) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
PubChem CID66995787
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(-c3ccc(OC(C)C)cc3)c(OC3CCC3)n2)CC1
InChIInChI=1S/C24H33N3O2/c1-16(2)28-21-13-9-18(10-14-21)22-15-25-24(26-19-11-7-17(3)8-12-19)27-23(22)29-20-5-4-6-20/h9-10,13-17,19-20H,4-8,11-12H2,1-3H3,(H,25,26,27)
InChIKeyMTQWJEKSLJNGOK-UHFFFAOYSA-N
XLogP5.85
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 46240185
N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxy-5-[4-[(3R)-oxolan-3-yl]oxyphenyl]pyrimidin-2-amine
CID 71108024
4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 66996374
5-(4-cyclobutyloxyphenyl)-N-(4-methylcyclohexyl)pyrimidin-2-amine
CID 46239078
2-[4-[2-[(4-methylcyclohexyl)amino]-4-(oxolan-3-yloxy)pyrimidin-5-yl]phenoxy]acetonitrile
CID 46239679
2-[4-[4-methoxy-2-[(4-methylcyclohexyl)amino]pyrimidin-5-yl]phenoxy]acetonitrile
CID 66995786
5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 46239582
N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
CID 50899813
2-[4-[2-[(4-methylcyclohexyl)amino]-4-(oxolan-3-ylmethoxy)pyrimidin-5-yl]phenoxy]acetonitrile
CID 66996377
N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
CID 66995624
5-(2-methyl-1,3-benzothiazol-5-yl)-N-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
CID 66883565
N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine
CID 71108050

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (CID 66995787) is 4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is CC1CCC(Nc2ncc(-c3ccc(OC(C)C)cc3)c(OC3CCC3)n2)CC1.
What is the InChIKey of 4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is MTQWJEKSLJNGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-16(2)28-21-13-9-18(10-14-21)22-15-25-24(26-19-11-7-17(3)8-12-19)27-23(22)29-20-5-4-6-20/h9-10,13-17,19-20H,4-8,11-12H2,1-3H3,(H,25,26,27).
What are the key properties of 4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 395.55 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 66995787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).