[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine

C13H22N4O — CID 102784013

IUPAC[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine
SMILESCC(C)Oc1cc(N2CCC(C)C2CN)ncn1
InChIInChI=1S/C13H22N4O/c1-9(2)18-13-6-12(15-8-16-13)17-5-4-10(3)11(17)7-14/h6,8-11H,4-5,7,14H2,1-3H3
InChIKeyGDJCDEMSSMRSTA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.44
Rot. Bonds4

About [3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine

[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine (PubChem CID 102784013) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine
PubChem CID102784013
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine
SMILESCC(C)Oc1cc(N2CCC(C)C2CN)ncn1
InChIInChI=1S/C13H22N4O/c1-9(2)18-13-6-12(15-8-16-13)17-5-4-10(3)11(17)7-14/h6,8-11H,4-5,7,14H2,1-3H3
InChIKeyGDJCDEMSSMRSTA-UHFFFAOYSA-N
XLogP1.44
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

[1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
CID 66317614
N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 66331814
1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-amine
CID 66331612
4-[4-(2-bromoethoxy)piperidin-1-yl]-6-propan-2-yloxypyrimidine
CID 82701131
4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 66331198
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 66333648
[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 102783996
4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 66332415
[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 102789924
N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66332224
N-[[4-(6-propan-2-yloxypyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83106060
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 66333649

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine (CID 102784013) is [3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine is CC(C)Oc1cc(N2CCC(C)C2CN)ncn1.
What is the InChIKey of [3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is GDJCDEMSSMRSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)18-13-6-12(15-8-16-13)17-5-4-10(3)11(17)7-14/h6,8-11H,4-5,7,14H2,1-3H3.
What are the key properties of [3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine?
[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 250.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102784013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).