2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine

C15H25ClN4 — CID 106194269

IUPAC2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H25ClN4/c1-11-6-5-7-15(8-11,20(3)4)10-18-13-12(2)9-17-14(16)19-13/h9,11H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeyKKAUZJIUZCVQDN-UHFFFAOYSA-N
MW296.85 g/mol
LogP3.36
Rot. Bonds4

About 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine

2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine (PubChem CID 106194269) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine
PubChem CID106194269
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H25ClN4/c1-11-6-5-7-15(8-11,20(3)4)10-18-13-12(2)9-17-14(16)19-13/h9,11H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeyKKAUZJIUZCVQDN-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine (CID 106194269) is 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine is Cc1cnc(Cl)nc1NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine?
The InChIKey is KKAUZJIUZCVQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-11-6-5-7-15(8-11,20(3)4)10-18-13-12(2)9-17-14(16)19-13/h9,11H,5-8,10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine?
2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine has a molecular weight of 296.85 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 106194269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).