2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine

C18H24ClN5 — CID 71738408

IUPAC2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine
SMILESCc1nc(NCc2cc(Cl)ccn2)nc(NC2CCCCC2)c1C
InChIInChI=1S/C18H24ClN5/c1-12-13(2)22-18(21-11-16-10-14(19)8-9-20-16)24-17(12)23-15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyOPUMDKOEFFOEMV-UHFFFAOYSA-N
MW345.88 g/mol
LogP4.50
Rot. Bonds5

About 2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine

2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine (PubChem CID 71738408) has the molecular formula C18H24ClN5 and a molecular weight of 345.88 g/mol. Its IUPAC name is 2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine
PubChem CID71738408
Molecular FormulaC18H24ClN5
Molecular Weight345.88 g/mol
Exact Mass345.17
IUPAC Name2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine
SMILESCc1nc(NCc2cc(Cl)ccn2)nc(NC2CCCCC2)c1C
InChIInChI=1S/C18H24ClN5/c1-12-13(2)22-18(21-11-16-10-14(19)8-9-20-16)24-17(12)23-15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyOPUMDKOEFFOEMV-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 ≤ 500345.88
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine (CID 71738408) is 2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine is Cc1nc(NCc2cc(Cl)ccn2)nc(NC2CCCCC2)c1C.
What is the InChIKey of 2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is OPUMDKOEFFOEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5/c1-12-13(2)22-18(21-11-16-10-14(19)8-9-20-16)24-17(12)23-15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine?
2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 345.88 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 2-N-[(4-chloro-2-pyridinyl)methyl]-4-N-cyclohexyl-5,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 71738408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).