2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine

C13H22N4O2 — CID 103538650

IUPAC2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CN2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H22N4O2/c1-9-5-12(14-2)16-13(15-9)8-17-6-10(18-3)11(7-17)19-4/h5,10-11H,6-8H2,1-4H3,(H,14,15,16)
InChIKeyDUKVPKOWMDGRQY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.67
Rot. Bonds5

About 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 103538650) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID103538650
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CN2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H22N4O2/c1-9-5-12(14-2)16-13(15-9)8-17-6-10(18-3)11(7-17)19-4/h5,10-11H,6-8H2,1-4H3,(H,14,15,16)
InChIKeyDUKVPKOWMDGRQY-UHFFFAOYSA-N
XLogP0.67
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol
CID 80657903
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657678
4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol
CID 81102789
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]azepane-2,7-dione
CID 80654260
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673886
2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80656898
[6,6-dimethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]morpholin-2-yl]methanol
CID 114780154
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
CID 80656948
6-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 103541964
3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 80653964
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 103538592
1-ethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperazine-2,5-dione
CID 80655063

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 103538650) is 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(CN2CC(OC)C(OC)C2)n1.
What is the InChIKey of 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is DUKVPKOWMDGRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-5-12(14-2)16-13(15-9)8-17-6-10(18-3)11(7-17)19-4/h5,10-11H,6-8H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 266.34 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 103538650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).