5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine

C18H18ClN5O — CID 166471142

IUPAC5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine
SMILESCC(C)Oc1ccc(Nc2ncc(Nc3ccncc3Cl)cn2)cc1
InChIInChI=1S/C18H18ClN5O/c1-12(2)25-15-5-3-13(4-6-15)24-18-21-9-14(10-22-18)23-17-7-8-20-11-16(17)19/h3-12H,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyGJIOMWLDQDNNTA-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.80
Rot. Bonds6

About 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine

5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine (PubChem CID 166471142) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine
PubChem CID166471142
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine
SMILESCC(C)Oc1ccc(Nc2ncc(Nc3ccncc3Cl)cn2)cc1
InChIInChI=1S/C18H18ClN5O/c1-12(2)25-15-5-3-13(4-6-15)24-18-21-9-14(10-22-18)23-17-7-8-20-11-16(17)19/h3-12H,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyGJIOMWLDQDNNTA-UHFFFAOYSA-N
XLogP4.80
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine 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

2-N-[4-(2-methylpropyl)phenyl]-5-N-[2-[[4-[[2-(4-propan-2-yloxyanilino)pyrimidin-5-yl]amino]-3-pyridinyl]methylamino]-4-pyridinyl]pyrimidine-2,5-diamine
CID 166471082
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269153
3-chloro-N-phenylpyridin-4-amine
CID 53468349
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
4-N-(2,3-dichlorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905254
5-N-(3-methoxy-4-pyridinyl)-2-N-[4-(2-methylpropyl)phenyl]pyrimidine-2,5-diamine
CID 166471120
5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 83736723
trans-(1R,2R)-2-[4-[(3-chloro-4-pyridinyl)amino]phenoxy]cyclohexan-1-ol
CID 167975932
2-N-(2,6-dichlorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905213
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806
N-(2-chlorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316775

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine?
The IUPAC name of 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine (CID 166471142) is 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine?
The canonical SMILES for 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine is CC(C)Oc1ccc(Nc2ncc(Nc3ccncc3Cl)cn2)cc1.
What is the InChIKey of 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine?
The InChIKey is GJIOMWLDQDNNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-12(2)25-15-5-3-13(4-6-15)24-18-21-9-14(10-22-18)23-17-7-8-20-11-16(17)19/h3-12H,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine?
5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine has a molecular weight of 355.83 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-4-pyridinyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 166471142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).