5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

C18H20ClN5 — CID 162664898

IUPAC5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCc1[nH]c2ccccc2c1-c1nc(N[C@H]2CCCNC2)ncc1Cl
InChIInChI=1S/C18H20ClN5/c1-11-16(13-6-2-3-7-15(13)22-11)17-14(19)10-21-18(24-17)23-12-5-4-8-20-9-12/h2-3,6-7,10,12,20,22H,4-5,8-9H2,1H3,(H,21,23,24)/t12-/m0/s1
InChIKeyNOHFWDPNSURDSS-LBPRGKRZSA-N
MW341.85 g/mol
LogP3.75
Rot. Bonds3

About 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 162664898) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID162664898
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCc1[nH]c2ccccc2c1-c1nc(N[C@H]2CCCNC2)ncc1Cl
InChIInChI=1S/C18H20ClN5/c1-11-16(13-6-2-3-7-15(13)22-11)17-14(19)10-21-18(24-17)23-12-5-4-8-20-9-12/h2-3,6-7,10,12,20,22H,4-5,8-9H2,1H3,(H,21,23,24)/t12-/m0/s1
InChIKeyNOHFWDPNSURDSS-LBPRGKRZSA-N
XLogP3.75
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-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

Pexidartinib
CID 25151352
L-745870
CID 5311200
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
Thz531
CID 118025540
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
BN-81,644
CID 9802572
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
Tuspetinib
CID 135390910
Pexidartinib Hydrochloride
CID 73053710
Bms-279700
CID 9844320
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 162664898) is 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is Cc1[nH]c2ccccc2c1-c1nc(N[C@H]2CCCNC2)ncc1Cl.
What is the InChIKey of 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is NOHFWDPNSURDSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-11-16(13-6-2-3-7-15(13)22-11)17-14(19)10-21-18(24-17)23-12-5-4-8-20-9-12/h2-3,6-7,10,12,20,22H,4-5,8-9H2,1H3,(H,21,23,24)/t12-/m0/s1.
What are the key properties of 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 341.85 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 162664898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).