2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C13H24N4O — CID 113401286

IUPAC2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)C)nc(COCC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-14-11-8-12(15-10(3)4)17-13(16-11)9-18-6-2/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyGCGVZZHOEMKJNM-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.66
Rot. Bonds8

About 2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 113401286) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID113401286
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)C)nc(COCC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-14-11-8-12(15-10(3)4)17-13(16-11)9-18-6-2/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyGCGVZZHOEMKJNM-UHFFFAOYSA-N
XLogP2.66
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324083
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
4-N-(3,3-dimethylbutan-2-yl)-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 104830551
2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103490268
2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765335
2-(ethoxymethyl)-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401288
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 113401247
2-(2-ethoxyethyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106815334
4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401538

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 113401286) is 2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)C)nc(COCC)n1.
What is the InChIKey of 2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is GCGVZZHOEMKJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-14-11-8-12(15-10(3)4)17-13(16-11)9-18-6-2/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 113401286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).