(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol

C21H27N5O — CID 95525382

IUPAC(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCCc1[nH]c2ccc(CNc3nccc(N4CCC[C@@H](O)C4)n3)cc2c1C
InChIInChI=1S/C21H27N5O/c1-3-18-14(2)17-11-15(6-7-19(17)24-18)12-23-21-22-9-8-20(25-21)26-10-4-5-16(27)13-26/h6-9,11,16,24,27H,3-5,10,12-13H2,1-2H3,(H,22,23,25)/t16-/m1/s1
InChIKeyCDMTYLSAWHDWKG-MRXNPFEDSA-N
MW365.48 g/mol
LogP3.40
Rot. Bonds5

About (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol

(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 95525382) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID95525382
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
SMILESCCc1[nH]c2ccc(CNc3nccc(N4CCC[C@@H](O)C4)n3)cc2c1C
InChIInChI=1S/C21H27N5O/c1-3-18-14(2)17-11-15(6-7-19(17)24-18)12-23-21-22-9-8-20(25-21)26-10-4-5-16(27)13-26/h6-9,11,16,24,27H,3-5,10,12-13H2,1-2H3,(H,22,23,25)/t16-/m1/s1
InChIKeyCDMTYLSAWHDWKG-MRXNPFEDSA-N
XLogP3.40
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol 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

(3R)-1-[2-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95402728
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 135088444
(3S)-1-[2-[(2,3-difluoro-4-methylphenyl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95122099
1-[2-(2,1,3-benzothiadiazol-5-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134698382
1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 135117171
1-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134712116
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 134710523
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 134703687

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol (CID 95525382) is (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol is CCc1[nH]c2ccc(CNc3nccc(N4CCC[C@@H](O)C4)n3)cc2c1C.
What is the InChIKey of (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is CDMTYLSAWHDWKG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N5O/c1-3-18-14(2)17-11-15(6-7-19(17)24-18)12-23-21-22-9-8-20(25-21)26-10-4-5-16(27)13-26/h6-9,11,16,24,27H,3-5,10,12-13H2,1-2H3,(H,22,23,25)/t16-/m1/s1.
What are the key properties of (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol?
(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 365.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 95525382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).