N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine

C13H22N4O — CID 62591275

IUPACN-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCOc1ccnc(N2CCCC2CNC(C)C)n1
InChIInChI=1S/C13H22N4O/c1-10(2)15-9-11-5-4-8-17(11)13-14-7-6-12(16-13)18-3/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyYLMKFXJDOZAGBK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.45
Rot. Bonds5

About N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 62591275) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID62591275
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCOc1ccnc(N2CCCC2CNC(C)C)n1
InChIInChI=1S/C13H22N4O/c1-10(2)15-9-11-5-4-8-17(11)13-14-7-6-12(16-13)18-3/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyYLMKFXJDOZAGBK-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 62591275) is N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine is COc1ccnc(N2CCCC2CNC(C)C)n1.
What is the InChIKey of N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is YLMKFXJDOZAGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)15-9-11-5-4-8-17(11)13-14-7-6-12(16-13)18-3/h6-7,10-11,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62591275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).