6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine

C14H22N6 — CID 50955306

IUPAC6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCCc1cc(N(C)Cc2cnn(C)c2)nc(N(C)C)n1
InChIInChI=1S/C14H22N6/c1-6-12-7-13(17-14(16-12)18(2)3)19(4)9-11-8-15-20(5)10-11/h7-8,10H,6,9H2,1-5H3
InChIKeyUBMNESDRFYILIT-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.47
Rot. Bonds5

About 6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine

6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 50955306) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID50955306
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCCc1cc(N(C)Cc2cnn(C)c2)nc(N(C)C)n1
InChIInChI=1S/C14H22N6/c1-6-12-7-13(17-14(16-12)18(2)3)19(4)9-11-8-15-20(5)10-11/h7-8,10H,6,9H2,1-5H3
InChIKeyUBMNESDRFYILIT-UHFFFAOYSA-N
XLogP1.47
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 50955306) is 6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine is CCc1cc(N(C)Cc2cnn(C)c2)nc(N(C)C)n1.
What is the InChIKey of 6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is UBMNESDRFYILIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-6-12-7-13(17-14(16-12)18(2)3)19(4)9-11-8-15-20(5)10-11/h7-8,10H,6,9H2,1-5H3.
What are the key properties of 6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N,2-N,4-N-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50955306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).