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

C13H22N4O — CID 66332224

IUPACN-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2cc(OC(C)C)ncn2)C1
InChIInChI=1S/C13H22N4O/c1-10(2)18-13-6-12(15-9-16-13)17-5-4-11(8-17)7-14-3/h6,9-11,14H,4-5,7-8H2,1-3H3
InChIKeyWMMVNDFACYMAFR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.31
Rot. Bonds5

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

N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 66332224) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID66332224
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2cc(OC(C)C)ncn2)C1
InChIInChI=1S/C13H22N4O/c1-10(2)18-13-6-12(15-9-16-13)17-5-4-11(8-17)7-14-3/h6,9-11,14H,4-5,7-8H2,1-3H3
InChIKeyWMMVNDFACYMAFR-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 66333648
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 66333649
N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66332385
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
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
CID 66332836
1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976631
4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 66332415
1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63267845

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine (CID 66332224) is N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine is CNCC1CCN(c2cc(OC(C)C)ncn2)C1.
What is the InChIKey of N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is WMMVNDFACYMAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)18-13-6-12(15-9-16-13)17-5-4-11(8-17)7-14-3/h6,9-11,14H,4-5,7-8H2,1-3H3.
What are the key properties of N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 250.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 66332224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).