4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine

C13H22N4O — CID 113401538

IUPAC4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCc1nc(NC)cc(NCCC2CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-18-9-13-16-11(14-2)8-12(17-13)15-7-6-10-4-5-10/h8,10H,3-7,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyOBCUCXIWOWOPBT-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.27
Rot. Bonds8

About 4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 113401538) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID113401538
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCc1nc(NC)cc(NCCC2CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-18-9-13-16-11(14-2)8-12(17-13)15-7-6-10-4-5-10/h8,10H,3-7,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyOBCUCXIWOWOPBT-UHFFFAOYSA-N
XLogP2.27
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclobutylmethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401346
2-(ethoxymethyl)-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401288
4-N-(2-cyclohexylethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933213
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
2-(ethoxymethyl)-6-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106028942
2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 106205209
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354
2-(ethoxymethyl)-6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106411986
2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934958
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179231
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80955141

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine (CID 113401538) is 4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine is CCOCc1nc(NC)cc(NCCC2CC2)n1.
What is the InChIKey of 4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is OBCUCXIWOWOPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-18-9-13-16-11(14-2)8-12(17-13)15-7-6-10-4-5-10/h8,10H,3-7,9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 113401538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).