N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine

C24H29N5O3 — CID 50899813

IUPACN-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
SMILESCc1nnc(-c2ccc(-c3cnc(NC4CCC(C)CC4)nc3O[C@@H]3CCOC3)cc2)o1
InChIInChI=1S/C24H29N5O3/c1-15-3-9-19(10-4-15)26-24-25-13-21(23(27-24)32-20-11-12-30-14-20)17-5-7-18(8-6-17)22-29-28-16(2)31-22/h5-8,13,15,19-20H,3-4,9-12,14H2,1-2H3,(H,25,26,27)/t15?,19?,20-/m1/s1
InChIKeyAFMJMTRQFGXFMK-RGKRWLCDSA-N
MW435.53 g/mol
LogP4.66
Rot. Bonds6

About N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine

N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine (PubChem CID 50899813) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
PubChem CID50899813
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
SMILESCc1nnc(-c2ccc(-c3cnc(NC4CCC(C)CC4)nc3O[C@@H]3CCOC3)cc2)o1
InChIInChI=1S/C24H29N5O3/c1-15-3-9-19(10-4-15)26-24-25-13-21(23(27-24)32-20-11-12-30-14-20)17-5-7-18(8-6-17)22-29-28-16(2)31-22/h5-8,13,15,19-20H,3-4,9-12,14H2,1-2H3,(H,25,26,27)/t15?,19?,20-/m1/s1
InChIKeyAFMJMTRQFGXFMK-RGKRWLCDSA-N
XLogP4.66
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxy-5-[4-[(3R)-oxolan-3-yl]oxyphenyl]pyrimidin-2-amine
CID 71108024
2-[4-[2-[(4-methylcyclohexyl)amino]-4-(oxolan-3-yloxy)pyrimidin-5-yl]phenoxy]acetonitrile
CID 46239679
5-(2-methyl-1,3-benzothiazol-5-yl)-N-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
CID 66883565
N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
CID 66995624
2-[4-[2-[(4-methylcyclohexyl)amino]-4-(oxolan-3-ylmethoxy)pyrimidin-5-yl]phenoxy]acetonitrile
CID 66996377
4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 66995787
4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 46240185
4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 66996374
2-[4-[4-methoxy-2-[(4-methylcyclohexyl)amino]pyrimidin-5-yl]phenoxy]acetonitrile
CID 66995786
N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine
CID 71108050
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylcyclohexyl)-4-(oxolan-2-ylmethoxy)pyrimidin-2-amine
CID 66995811
5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 46239582

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
The IUPAC name of N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine (CID 50899813) is N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine is Cc1nnc(-c2ccc(-c3cnc(NC4CCC(C)CC4)nc3O[C@@H]3CCOC3)cc2)o1.
What is the InChIKey of N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
The InChIKey is AFMJMTRQFGXFMK-RGKRWLCDSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15-3-9-19(10-4-15)26-24-25-13-21(23(27-24)32-20-11-12-30-14-20)17-5-7-18(8-6-17)22-29-28-16(2)31-22/h5-8,13,15,19-20H,3-4,9-12,14H2,1-2H3,(H,25,26,27)/t15?,19?,20-/m1/s1.
What are the key properties of N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine has a molecular weight of 435.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine is sourced from PubChem (CID 50899813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).