N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine

C17H17ClN6 — CID 24986837

IUPACN'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1ncccc1-c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C17H17ClN6/c18-12-3-1-4-13(11-12)23-17-22-9-6-15(24-17)14-5-2-8-20-16(14)21-10-7-19/h1-6,8-9,11H,7,10,19H2,(H,20,21)(H,22,23,24)
InChIKeyRATTYRMYYIZCJO-UHFFFAOYSA-N
MW340.82 g/mol
LogP3.31
Rot. Bonds6

About N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine

N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 24986837) has the molecular formula C17H17ClN6 and a molecular weight of 340.82 g/mol. Its IUPAC name is N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID24986837
Molecular FormulaC17H17ClN6
Molecular Weight340.82 g/mol
Exact Mass340.12
IUPAC NameN'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1ncccc1-c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C17H17ClN6/c18-12-3-1-4-13(11-12)23-17-22-9-6-15(24-17)14-5-2-8-20-16(14)21-10-7-19/h1-6,8-9,11H,7,10,19H2,(H,20,21)(H,22,23,24)
InChIKeyRATTYRMYYIZCJO-UHFFFAOYSA-N
XLogP3.31
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990162
4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine
CID 24991254
4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 22273481
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
N-[3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-(methylamino)-3-pyridinyl]amino]propyl]acetamide
CID 59200669
2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]indol-1-yl]propanamide
CID 91243495
N-[3-[[3-[4-(3-chloroanilino)-1,3,5-triazin-2-yl]-2-pyridinyl]amino]propyl]acetamide
CID 59200672
N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
CID 67364353
2-(3-chloroanilino)pyrimidine-4-carbothioamide
CID 107546376

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine (CID 24986837) is N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine is NCCNc1ncccc1-c1ccnc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is RATTYRMYYIZCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6/c18-12-3-1-4-13(11-12)23-17-22-9-6-15(24-17)14-5-2-8-20-16(14)21-10-7-19/h1-6,8-9,11H,7,10,19H2,(H,20,21)(H,22,23,24).
What are the key properties of N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine?
N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 340.82 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 24986837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).