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

C12H18N6 — CID 72930789

IUPAC6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(NCc2nc[nH]c2C)c1C
InChIInChI=1S/C12H18N6/c1-4-9-7(2)11(18-12(13)17-9)14-5-10-8(3)15-6-16-10/h6H,4-5H2,1-3H3,(H,15,16)(H3,13,14,17,18)
InChIKeyUQZHGVFNCREWJC-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.57
Rot. Bonds4

About 6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine

6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 72930789) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID72930789
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(NCc2nc[nH]c2C)c1C
InChIInChI=1S/C12H18N6/c1-4-9-7(2)11(18-12(13)17-9)14-5-10-8(3)15-6-16-10/h6H,4-5H2,1-3H3,(H,15,16)(H3,13,14,17,18)
InChIKeyUQZHGVFNCREWJC-UHFFFAOYSA-N
XLogP1.57
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 72930789) is 6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine is CCc1nc(N)nc(NCc2nc[nH]c2C)c1C.
What is the InChIKey of 6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is UQZHGVFNCREWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-9-7(2)11(18-12(13)17-9)14-5-10-8(3)15-6-16-10/h6H,4-5H2,1-3H3,(H,15,16)(H3,13,14,17,18).
What are the key properties of 6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine?
6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72930789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).