6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine

C12H17N7 — CID 80825317

IUPAC6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2cnc(C)cn2)nc(N)n1
InChIInChI=1S/C12H17N7/c1-3-14-10-4-11(19-12(13)18-10)17-7-9-6-15-8(2)5-16-9/h4-6H,3,7H2,1-2H3,(H4,13,14,17,18,19)
InChIKeyKDPIZLVBNBSQHK-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.20
Rot. Bonds5

About 6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 80825317) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID80825317
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2cnc(C)cn2)nc(N)n1
InChIInChI=1S/C12H17N7/c1-3-14-10-4-11(19-12(13)18-10)17-7-9-6-15-8(2)5-16-9/h4-6H,3,7H2,1-2H3,(H4,13,14,17,18,19)
InChIKeyKDPIZLVBNBSQHK-UHFFFAOYSA-N
XLogP1.20
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,6-diamine
CID 80825043
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
2-hydrazinyl-6-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80919004
2-N-[(5-methylpyrazin-2-yl)methyl]pyrazine-2,5-diamine
CID 80652610
6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine
CID 79827777
6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813528
2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine
CID 62846987
6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
CID 80772345
6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80825561
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 106378786
6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813441
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine (CID 80825317) is 6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine is CCNc1cc(NCc2cnc(C)cn2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is KDPIZLVBNBSQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-3-14-10-4-11(19-12(13)18-10)17-7-9-6-15-8(2)5-16-9/h4-6H,3,7H2,1-2H3,(H4,13,14,17,18,19).
What are the key properties of 6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 259.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80825317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).