N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine

C16H29N5O — CID 87011446

IUPACN,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H29N5O/c1-16(2,13-20(3)4)12-17-9-14-10-18-15(19-11-14)21-5-7-22-8-6-21/h10-11,17H,5-9,12-13H2,1-4H3
InChIKeyWAIAWYNUWNYOEG-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.99
Rot. Bonds7

About N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine (PubChem CID 87011446) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine
PubChem CID87011446
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H29N5O/c1-16(2,13-20(3)4)12-17-9-14-10-18-15(19-11-14)21-5-7-22-8-6-21/h10-11,17H,5-9,12-13H2,1-4H3
InChIKeyWAIAWYNUWNYOEG-UHFFFAOYSA-N
XLogP0.99
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine (CID 87011446) is N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine is CN(C)CC(C)(C)CNCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine?
The InChIKey is WAIAWYNUWNYOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-16(2,13-20(3)4)12-17-9-14-10-18-15(19-11-14)21-5-7-22-8-6-21/h10-11,17H,5-9,12-13H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine has a molecular weight of 307.44 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 87011446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).