4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C18H18ClN5 — CID 71738749

IUPAC4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1nc(NCc2ccccn2)nc(Nc2ccccc2Cl)c1C
InChIInChI=1S/C18H18ClN5/c1-12-13(2)22-18(21-11-14-7-5-6-10-20-14)24-17(12)23-16-9-4-3-8-15(16)19/h3-10H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyNKYHQWBFSXYFTL-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.50
Rot. Bonds5

About 4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 71738749) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID71738749
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1nc(NCc2ccccn2)nc(Nc2ccccc2Cl)c1C
InChIInChI=1S/C18H18ClN5/c1-12-13(2)22-18(21-11-14-7-5-6-10-20-14)24-17(12)23-16-9-4-3-8-15(16)19/h3-10H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyNKYHQWBFSXYFTL-UHFFFAOYSA-N
XLogP4.50
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5,6-dimethyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 71738479
3-chloro-2-N,2-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 43739781
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777970
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
5,6-dimethyl-4-N-[1-(2-methylpropyl)piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 174850321
5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 171984806
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917858
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258736
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 71738749) is 4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1nc(NCc2ccccn2)nc(Nc2ccccc2Cl)c1C.
What is the InChIKey of 4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is NKYHQWBFSXYFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c1-12-13(2)22-18(21-11-14-7-5-6-10-20-14)24-17(12)23-16-9-4-3-8-15(16)19/h3-10H,11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 339.83 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71738749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).