6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine

C9H14N4O — CID 114615244

IUPAC6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
SMILESC=C(C)CNc1ncnc(OC)c1N
InChIInChI=1S/C9H14N4O/c1-6(2)4-11-8-7(10)9(14-3)13-5-12-8/h5H,1,4,10H2,2-3H3,(H,11,12,13)
InChIKeyUJSWUBJKFMJYRO-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.06
Rot. Bonds4

About 6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine

6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine (PubChem CID 114615244) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
PubChem CID114615244
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine
SMILESC=C(C)CNc1ncnc(OC)c1N
InChIInChI=1S/C9H14N4O/c1-6(2)4-11-8-7(10)9(14-3)13-5-12-8/h5H,1,4,10H2,2-3H3,(H,11,12,13)
InChIKeyUJSWUBJKFMJYRO-UHFFFAOYSA-N
XLogP1.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182340
5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141264
1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141779
2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106184118
6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 106394063
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]acetamide
CID 66327451
6-methoxy-2-N-(2-methylprop-2-enyl)pyridine-2,3-diamine
CID 114615186
6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728
6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
6-methoxy-4-N-[(3-methylcyclohexyl)methyl]pyrimidine-4,5-diamine
CID 114129528
6-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,5-diamine
CID 113253638
2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 115356044

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine (CID 114615244) is 6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine is C=C(C)CNc1ncnc(OC)c1N.
What is the InChIKey of 6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine?
The InChIKey is UJSWUBJKFMJYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)4-11-8-7(10)9(14-3)13-5-12-8/h5H,1,4,10H2,2-3H3,(H,11,12,13).
What are the key properties of 6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine?
6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine has a molecular weight of 194.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(2-methylprop-2-enyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 114615244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).