4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine

C13H23N5 — CID 11708599

IUPAC4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCC2CCCC(CN)C2)nc(N)n1
InChIInChI=1S/C13H23N5/c1-9-5-12(18-13(15)17-9)16-8-11-4-2-3-10(6-11)7-14/h5,10-11H,2-4,6-8,14H2,1H3,(H3,15,16,17,18)
InChIKeyAZRTYDLIZDVUAN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.54
Rot. Bonds4

About 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine

4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 11708599) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID11708599
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCC2CCCC(CN)C2)nc(N)n1
InChIInChI=1S/C13H23N5/c1-9-5-12(18-13(15)17-9)16-8-11-4-2-3-10(6-11)7-14/h5,10-11H,2-4,6-8,14H2,1H3,(H3,15,16,17,18)
InChIKeyAZRTYDLIZDVUAN-UHFFFAOYSA-N
XLogP1.54
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine (CID 11708599) is 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCC2CCCC(CN)C2)nc(N)n1.
What is the InChIKey of 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is AZRTYDLIZDVUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9-5-12(18-13(15)17-9)16-8-11-4-2-3-10(6-11)7-14/h5,10-11H,2-4,6-8,14H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine?
4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-(aminomethyl)cyclohexyl]methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 11708599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).