N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine

C15H26N6O — CID 75256925

IUPACN-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine
SMILESCC1CC(CN(C)Cc2ccnc(N3CCOCC3)n2)NN1
InChIInChI=1S/C15H26N6O/c1-12-9-14(19-18-12)11-20(2)10-13-3-4-16-15(17-13)21-5-7-22-8-6-21/h3-4,12,14,18-19H,5-11H2,1-2H3
InChIKeyIBCRSNWTJDCJKV-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.00
Rot. Bonds5

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

N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine (PubChem CID 75256925) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine
PubChem CID75256925
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC NameN-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine
SMILESCC1CC(CN(C)Cc2ccnc(N3CCOCC3)n2)NN1
InChIInChI=1S/C15H26N6O/c1-12-9-14(19-18-12)11-20(2)10-13-3-4-16-15(17-13)21-5-7-22-8-6-21/h3-4,12,14,18-19H,5-11H2,1-2H3
InChIKeyIBCRSNWTJDCJKV-UHFFFAOYSA-N
XLogP0.00
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine (CID 75256925) is N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine is CC1CC(CN(C)Cc2ccnc(N3CCOCC3)n2)NN1.
What is the InChIKey of N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine?
The InChIKey is IBCRSNWTJDCJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-12-9-14(19-18-12)11-20(2)10-13-3-4-16-15(17-13)21-5-7-22-8-6-21/h3-4,12,14,18-19H,5-11H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine?
N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine has a molecular weight of 306.41 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine is sourced from PubChem (CID 75256925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).