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

C16H27N5O — CID 16673316

IUPACN-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
SMILESCN1CCC(CN(C)Cc2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C16H27N5O/c1-19-4-3-14(11-19)12-20(2)13-15-9-17-16(18-10-15)21-5-7-22-8-6-21/h9-10,14H,3-8,11-13H2,1-2H3
InChIKeyVRFJSJXFEQTNRG-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.70
Rot. Bonds5

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

N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine (PubChem CID 16673316) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
PubChem CID16673316
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
SMILESCN1CCC(CN(C)Cc2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C16H27N5O/c1-19-4-3-14(11-19)12-20(2)13-15-9-17-16(18-10-15)21-5-7-22-8-6-21/h9-10,14H,3-8,11-13H2,1-2H3
InChIKeyVRFJSJXFEQTNRG-UHFFFAOYSA-N
XLogP0.70
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine (CID 16673316) is N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine is CN1CCC(CN(C)Cc2cnc(N3CCOCC3)nc2)C1.
What is the InChIKey of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is VRFJSJXFEQTNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-19-4-3-14(11-19)12-20(2)13-15-9-17-16(18-10-15)21-5-7-22-8-6-21/h9-10,14H,3-8,11-13H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine?
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 305.43 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 16673316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).