6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C21H21Cl2N5O3 — CID 154684608

IUPAC6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOc1cc(OC)c(Cl)c(Nc2ncccc2-c2cc(N[C@H]3CCOC3)ncn2)c1Cl
InChIInChI=1S/C21H21Cl2N5O3/c1-29-15-9-16(30-2)19(23)20(18(15)22)28-21-13(4-3-6-24-21)14-8-17(26-11-25-14)27-12-5-7-31-10-12/h3-4,6,8-9,11-12H,5,7,10H2,1-2H3,(H,24,28)(H,25,26,27)/t12-/m0/s1
InChIKeyBUKPPMUWYBKRRP-LBPRGKRZSA-N
MW462.34 g/mol
LogP4.81
Rot. Bonds7

About 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine

6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 154684608) has the molecular formula C21H21Cl2N5O3 and a molecular weight of 462.34 g/mol. Its IUPAC name is 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID154684608
Molecular FormulaC21H21Cl2N5O3
Molecular Weight462.34 g/mol
Exact Mass461.10
IUPAC Name6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOc1cc(OC)c(Cl)c(Nc2ncccc2-c2cc(N[C@H]3CCOC3)ncn2)c1Cl
InChIInChI=1S/C21H21Cl2N5O3/c1-29-15-9-16(30-2)19(23)20(18(15)22)28-21-13(4-3-6-24-21)14-8-17(26-11-25-14)27-12-5-7-31-10-12/h3-4,6,8-9,11-12H,5,7,10H2,1-2H3,(H,24,28)(H,25,26,27)/t12-/m0/s1
InChIKeyBUKPPMUWYBKRRP-LBPRGKRZSA-N
XLogP4.81
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-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

(3S,4R)-3-N-[6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]pyrimidin-4-yl]oxolane-3,4-diamine
CID 154684633
tert-butyl 3-[[6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 156633489
6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[2-nitro-4-(oxetan-3-yloxy)phenyl]pyrimidin-4-amine
CID 154684614
1-[6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]pyrimidin-4-yl]-4-(1-methylpyrrolidin-3-yl)oxycyclohexa-3,5-diene-1,2-diamine
CID 162515385
tert-butyl 4-[3-amino-4-[[6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]pyrimidin-4-yl]amino]phenyl]piperazine-1-carboxylate
CID 156633490
4-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-(4-morpholin-4-ylphenyl)-1,3,5-triazin-2-amine
CID 156730481
3-[6-[[2-amino-4-[(1-methylazetidin-3-yl)methoxy]phenyl]methyl]pyrimidin-4-yl]-N-(2,6-dichloro-3,5-dimethoxyphenyl)pyridin-2-amine
CID 165014923
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-(oxan-3-yl)-1-N-(oxetan-3-yl)-2,6-naphthyridine-1,7-diamine
CID 139395977
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180770
6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126724583

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 154684608) is 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine is COc1cc(OC)c(Cl)c(Nc2ncccc2-c2cc(N[C@H]3CCOC3)ncn2)c1Cl.
What is the InChIKey of 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is BUKPPMUWYBKRRP-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H21Cl2N5O3/c1-29-15-9-16(30-2)19(23)20(18(15)22)28-21-13(4-3-6-24-21)14-8-17(26-11-25-14)27-12-5-7-31-10-12/h3-4,6,8-9,11-12H,5,7,10H2,1-2H3,(H,24,28)(H,25,26,27)/t12-/m0/s1.
What are the key properties of 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 462.34 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-dichloro-3,5-dimethoxyanilino)-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 154684608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).