2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine

C12H20N4O — CID 102701899

IUPAC2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
SMILESCOC(C)CNc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C12H20N4O/c1-7(17-3)6-14-11-8(2)10(13)15-12(16-11)9-4-5-9/h7,9H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyKJMYRECSETVVPD-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.69
Rot. Bonds5

About 2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 102701899) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
PubChem CID102701899
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
SMILESCOC(C)CNc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C12H20N4O/c1-7(17-3)6-14-11-8(2)10(13)15-12(16-11)9-4-5-9/h7,9H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyKJMYRECSETVVPD-UHFFFAOYSA-N
XLogP1.69
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80985077
2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592555
2-cyclopropyl-5-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80984520
4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80980857
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80984401
2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine
CID 80981871
N-[2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993649
2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424259
3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 81006614

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine (CID 102701899) is 2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine is COC(C)CNc1nc(C2CC2)nc(N)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is KJMYRECSETVVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(17-3)6-14-11-8(2)10(13)15-12(16-11)9-4-5-9/h7,9H,4-6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 102701899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).