6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine

C10H14N6 — CID 80817082

IUPAC6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cnn(C)c2)ncn1
InChIInChI=1S/C10H14N6/c1-11-9-3-10(14-7-13-9)12-4-8-5-15-16(2)6-8/h3,5-7H,4H2,1-2H3,(H2,11,12,13,14)
InChIKeyQVSJKTKTZXRIOA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.86
Rot. Bonds4

About 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80817082) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80817082
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cnn(C)c2)ncn1
InChIInChI=1S/C10H14N6/c1-11-9-3-10(14-7-13-9)12-4-8-5-15-16(2)6-8/h3,5-7H,4H2,1-2H3,(H2,11,12,13,14)
InChIKeyQVSJKTKTZXRIOA-UHFFFAOYSA-N
XLogP0.86
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine (CID 80817082) is 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine is CNc1cc(NCc2cnn(C)c2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is QVSJKTKTZXRIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-11-9-3-10(14-7-13-9)12-4-8-5-15-16(2)6-8/h3,5-7H,4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 218.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80817082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).