N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine

C15H25N5O — CID 83179644

IUPACN-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(N2CCC(N3CCOCC3)C2)nc1C
InChIInChI=1S/C15H25N5O/c1-12-13(9-16-2)10-17-15(18-12)20-4-3-14(11-20)19-5-7-21-8-6-19/h10,14,16H,3-9,11H2,1-2H3
InChIKeyLWFAFBDLWXYGGP-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.42
Rot. Bonds4

About N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine (PubChem CID 83179644) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
PubChem CID83179644
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(N2CCC(N3CCOCC3)C2)nc1C
InChIInChI=1S/C15H25N5O/c1-12-13(9-16-2)10-17-15(18-12)20-4-3-14(11-20)19-5-7-21-8-6-19/h10,14,16H,3-9,11H2,1-2H3
InChIKeyLWFAFBDLWXYGGP-UHFFFAOYSA-N
XLogP0.42
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine (CID 83179644) is N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine is CNCc1cnc(N2CCC(N3CCOCC3)C2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine?
The InChIKey is LWFAFBDLWXYGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12-13(9-16-2)10-17-15(18-12)20-4-3-14(11-20)19-5-7-21-8-6-19/h10,14,16H,3-9,11H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83179644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).