2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C12H21N3O2 — CID 79617577

IUPAC2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(C(C)OC)n1
InChIInChI=1S/C12H21N3O2/c1-5-6-13-11-7-10(8-16-3)14-12(15-11)9(2)17-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeySRSLCUSKALBMSQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.15
Rot. Bonds7

About 2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 79617577) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID79617577
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(C(C)OC)n1
InChIInChI=1S/C12H21N3O2/c1-5-6-13-11-7-10(8-16-3)14-12(15-11)9(2)17-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeySRSLCUSKALBMSQ-UHFFFAOYSA-N
XLogP2.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine
CID 79616490
N,6-diethyl-2-(1-methoxyethyl)pyrimidin-4-amine
CID 79616612
2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79088984
2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113291401
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102928862
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
6-(methoxymethyl)-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62552293
2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62319694
N-ethyl-6-(methoxymethyl)-2-(2-methylpropyl)pyrimidin-4-amine
CID 62319502
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
[6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 116730396
[6-(methoxymethyl)-2-(1-methoxypropyl)pyrimidin-4-yl]hydrazine
CID 116730389

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 79617577) is 2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(COC)nc(C(C)OC)n1.
What is the InChIKey of 2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is SRSLCUSKALBMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-6-13-11-7-10(8-16-3)14-12(15-11)9(2)17-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79617577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).