2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

C12H18N6 — CID 107465221

IUPAC2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2cn(C)nc2CC)n1
InChIInChI=1S/C12H18N6/c1-4-9-10(8-18(3)17-9)15-11-6-7-14-12(16-11)13-5-2/h6-8H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyXVTBBYPQFDCGDC-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.95
Rot. Bonds5

About 2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 107465221) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID107465221
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2cn(C)nc2CC)n1
InChIInChI=1S/C12H18N6/c1-4-9-10(8-18(3)17-9)15-11-6-7-14-12(16-11)13-5-2/h6-8H,4-5H2,1-3H3,(H2,13,14,15,16)
InChIKeyXVTBBYPQFDCGDC-UHFFFAOYSA-N
XLogP1.95
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 107465162
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 107463689
6-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)pyridin-2-amine
CID 107464291
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152
2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563
2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80807590
N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylpyridin-4-amine
CID 107463662
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridazin-3-amine
CID 107463688
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80763652
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine
CID 104844292

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 107465221) is 2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is CCNc1nccc(Nc2cn(C)nc2CC)n1.
What is the InChIKey of 2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is XVTBBYPQFDCGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-9-10(8-18(3)17-9)15-11-6-7-14-12(16-11)13-5-2/h6-8H,4-5H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107465221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).