4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

C13H20N6 — CID 50956142

IUPAC4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCCn1ccnc1CN(C)c1cc(N(C)C)ncn1
InChIInChI=1S/C13H20N6/c1-5-19-7-6-14-13(19)9-18(4)12-8-11(17(2)3)15-10-16-12/h6-8,10H,5,9H2,1-4H3
InChIKeyDSUOHICPFVPRIQ-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.40
Rot. Bonds5

About 4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine

4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (PubChem CID 50956142) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
PubChem CID50956142
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCCn1ccnc1CN(C)c1cc(N(C)C)ncn1
InChIInChI=1S/C13H20N6/c1-5-19-7-6-14-13(19)9-18(4)12-8-11(17(2)3)15-10-16-12/h6-8,10H,5,9H2,1-4H3
InChIKeyDSUOHICPFVPRIQ-UHFFFAOYSA-N
XLogP1.40
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (CID 50956142) is 4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is CCn1ccnc1CN(C)c1cc(N(C)C)ncn1.
What is the InChIKey of 4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The InChIKey is DSUOHICPFVPRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-5-19-7-6-14-13(19)9-18(4)12-8-11(17(2)3)15-10-16-12/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine has a molecular weight of 260.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylimidazol-2-yl)methyl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 50956142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).