4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine

C10H14N6O — CID 114053016

IUPAC4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine
SMILESCCn1cc(Nc2cc(OC)nc(N)n2)cn1
InChIInChI=1S/C10H14N6O/c1-3-16-6-7(5-12-16)13-8-4-9(17-2)15-10(11)14-8/h4-6H,3H2,1-2H3,(H3,11,13,14,15)
InChIKeyJPIPMFSWFKATOS-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.03
Rot. Bonds4

About 4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine

4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine (PubChem CID 114053016) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine
PubChem CID114053016
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine
SMILESCCn1cc(Nc2cc(OC)nc(N)n2)cn1
InChIInChI=1S/C10H14N6O/c1-3-16-6-7(5-12-16)13-8-4-9(17-2)15-10(11)14-8/h4-6H,3H2,1-2H3,(H3,11,13,14,15)
InChIKeyJPIPMFSWFKATOS-UHFFFAOYSA-N
XLogP1.03
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-ethylpyrazol-4-yl)oxy-6-methoxypyrimidin-2-amine
CID 114053313
6-methoxy-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 114053207
6-(1-ethylpyrazol-4-yl)oxy-4-N-propylpyrimidine-2,4-diamine
CID 116805934
4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956114
4-N-(3-iodophenyl)-6-methoxypyrimidine-2,4-diamine
CID 114053114
2-ethyl-6-[(1-ethylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 113380138
methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate
CID 66285222
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate
CID 80569285
1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine
CID 156571539
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
ethyl 4-amino-3-[(1-ethylpyrazol-4-yl)amino]benzoate
CID 82785137
N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
CID 75451950

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine (CID 114053016) is 4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine is CCn1cc(Nc2cc(OC)nc(N)n2)cn1.
What is the InChIKey of 4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine?
The InChIKey is JPIPMFSWFKATOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-16-6-7(5-12-16)13-8-4-9(17-2)15-10(11)14-8/h4-6H,3H2,1-2H3,(H3,11,13,14,15).
What are the key properties of 4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine?
4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine has a molecular weight of 234.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 114053016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).