2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C13H24N4O — CID 113291401

IUPAC2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(CCN(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-7-14-13-9-11(10-18-4)15-12(16-13)6-8-17(2)3/h9H,5-8,10H2,1-4H3,(H,14,15,16)
InChIKeyMBVLLLHHHOECJG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 113291401) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID113291401
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(CCN(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-7-14-13-9-11(10-18-4)15-12(16-13)6-8-17(2)3/h9H,5-8,10H2,1-4H3,(H,14,15,16)
InChIKeyMBVLLLHHHOECJG-UHFFFAOYSA-N
XLogP1.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79088984
2-[2-(dimethylamino)ethyl]-N,6-dipropylpyrimidin-4-amine
CID 115346995
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102928862
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
6-(methoxymethyl)-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62552293
N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine
CID 62320668
2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79617577
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401298
2-butyl-6-ethyl-N-propylpyrimidin-4-amine
CID 79413331
2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62319694

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 113291401) is 2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(COC)nc(CCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is MBVLLLHHHOECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-14-13-9-11(10-18-4)15-12(16-13)6-8-17(2)3/h9H,5-8,10H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 113291401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).