N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine

C23H29N5O2 — CID 66995624

IUPACN-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(-c3ccc4cn(C)nc4c3)c(O[C@@H]3CCOC3)n2)CC1
InChIInChI=1S/C23H29N5O2/c1-15-3-7-18(8-4-15)25-23-24-12-20(22(26-23)30-19-9-10-29-14-19)16-5-6-17-13-28(2)27-21(17)11-16/h5-6,11-13,15,18-19H,3-4,7-10,14H2,1-2H3,(H,24,25,26)/t15?,18?,19-/m1/s1
InChIKeyRWDOIKNLTXEHKT-XUJQIHCRSA-N
MW407.52 g/mol
LogP4.19
Rot. Bonds5

About N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine

N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine (PubChem CID 66995624) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
PubChem CID66995624
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
SMILESCC1CCC(Nc2ncc(-c3ccc4cn(C)nc4c3)c(O[C@@H]3CCOC3)n2)CC1
InChIInChI=1S/C23H29N5O2/c1-15-3-7-18(8-4-15)25-23-24-12-20(22(26-23)30-19-9-10-29-14-19)16-5-6-17-13-28(2)27-21(17)11-16/h5-6,11-13,15,18-19H,3-4,7-10,14H2,1-2H3,(H,24,25,26)/t15?,18?,19-/m1/s1
InChIKeyRWDOIKNLTXEHKT-XUJQIHCRSA-N
XLogP4.19
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxy-5-[4-[(3R)-oxolan-3-yl]oxyphenyl]pyrimidin-2-amine
CID 71108024
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-(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-yloxy)pyrimidin-5-yl]phenoxy]acetonitrile
CID 46239679
4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 66995787
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylcyclohexyl)-4-(oxolan-2-ylmethoxy)pyrimidin-2-amine
CID 66995811
2-[4-[2-[(4-methylcyclohexyl)amino]-4-(oxolan-3-ylmethoxy)pyrimidin-5-yl]phenoxy]acetonitrile
CID 66996377
N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine
CID 71108050
4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 46240185
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
5-(4-cyclobutyloxyphenyl)-N-(4-methylcyclohexyl)pyrimidin-2-amine
CID 46239078

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
The IUPAC name of N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine (CID 66995624) is N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine is CC1CCC(Nc2ncc(-c3ccc4cn(C)nc4c3)c(O[C@@H]3CCOC3)n2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
The InChIKey is RWDOIKNLTXEHKT-XUJQIHCRSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15-3-7-18(8-4-15)25-23-24-12-20(22(26-23)30-19-9-10-29-14-19)16-5-6-17-13-28(2)27-21(17)11-16/h5-6,11-13,15,18-19H,3-4,7-10,14H2,1-2H3,(H,24,25,26)/t15?,18?,19-/m1/s1.
What are the key properties of N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine has a molecular weight of 407.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-5-(2-methylindazol-6-yl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine is sourced from PubChem (CID 66995624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).