4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine

C12H18N6 — CID 50976646

IUPAC4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ccnc(N(C)Cc2ncc(C)[nH]2)n1
InChIInChI=1S/C12H18N6/c1-4-13-10-5-6-14-12(17-10)18(3)8-11-15-7-9(2)16-11/h5-7H,4,8H2,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyIVJPRWYVTZMENG-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.58
Rot. Bonds5

About 4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine

4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 50976646) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID50976646
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ccnc(N(C)Cc2ncc(C)[nH]2)n1
InChIInChI=1S/C12H18N6/c1-4-13-10-5-6-14-12(17-10)18(3)8-11-15-7-9(2)16-11/h5-7H,4,8H2,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyIVJPRWYVTZMENG-UHFFFAOYSA-N
XLogP1.58
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 50976646) is 4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine is CCNc1ccnc(N(C)Cc2ncc(C)[nH]2)n1.
What is the InChIKey of 4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is IVJPRWYVTZMENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-13-10-5-6-14-12(17-10)18(3)8-11-15-7-9(2)16-11/h5-7H,4,8H2,1-3H3,(H,15,16)(H,13,14,17).
What are the key properties of 4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine?
4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-methyl-2-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50976646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).