N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine

C13H22N4O — CID 103538592

IUPACN-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN2CCC(OC)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-14-12-7-10(2)15-13(16-12)9-17-6-5-11(8-17)18-3/h7,11H,4-6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyOYJNTTGUFSOKNT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.44
Rot. Bonds5

About N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine

N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 103538592) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine
PubChem CID103538592
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN2CCC(OC)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-14-12-7-10(2)15-13(16-12)9-17-6-5-11(8-17)18-3/h7,11H,4-6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyOYJNTTGUFSOKNT-UHFFFAOYSA-N
XLogP1.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 102966751
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-3-methylpiperidin-4-ol
CID 114681757
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657151
N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 103502321
2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658081
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673886
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657810
methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 80657147
N-ethyl-6-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidin-4-amine
CID 102745668
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 103538650
N-ethyl-6-methyl-2-[(2-propylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 83061990
N-ethyl-6-(4-methoxypiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 80783406

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine (CID 103538592) is N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(CN2CCC(OC)C2)n1.
What is the InChIKey of N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is OYJNTTGUFSOKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-12-7-10(2)15-13(16-12)9-17-6-5-11(8-17)18-3/h7,11H,4-6,8-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine?
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103538592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).