4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine

C14H25N5O — CID 131892110

IUPAC4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(NCC2(N(C)C)CCCCC2)nc(N)n1
InChIInChI=1S/C14H25N5O/c1-19(2)14(7-5-4-6-8-14)10-16-11-9-12(20-3)18-13(15)17-11/h9H,4-8,10H2,1-3H3,(H3,15,16,17,18)
InChIKeyXFQXNMBMUPQQMX-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.74
Rot. Bonds5

About 4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine

4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine (PubChem CID 131892110) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine
PubChem CID131892110
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(NCC2(N(C)C)CCCCC2)nc(N)n1
InChIInChI=1S/C14H25N5O/c1-19(2)14(7-5-4-6-8-14)10-16-11-9-12(20-3)18-13(15)17-11/h9H,4-8,10H2,1-3H3,(H3,15,16,17,18)
InChIKeyXFQXNMBMUPQQMX-UHFFFAOYSA-N
XLogP1.74
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine (CID 131892110) is 4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine is COc1cc(NCC2(N(C)C)CCCCC2)nc(N)n1.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine?
The InChIKey is XFQXNMBMUPQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-19(2)14(7-5-4-6-8-14)10-16-11-9-12(20-3)18-13(15)17-11/h9H,4-8,10H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine?
4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 131892110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).