N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine

C15H29N5 — CID 83185920

IUPACN,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine
SMILESCCCNCc1cnc(N(C)CCCN(C)C)nc1C
InChIInChI=1S/C15H29N5/c1-6-8-16-11-14-12-17-15(18-13(14)2)20(5)10-7-9-19(3)4/h12,16H,6-11H2,1-5H3
InChIKeyQURXSDWAJTURLZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.67
Rot. Bonds9

About N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine (PubChem CID 83185920) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine
PubChem CID83185920
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine
SMILESCCCNCc1cnc(N(C)CCCN(C)C)nc1C
InChIInChI=1S/C15H29N5/c1-6-8-16-11-14-12-17-15(18-13(14)2)20(5)10-7-9-19(3)4/h12,16H,6-11H2,1-5H3
InChIKeyQURXSDWAJTURLZ-UHFFFAOYSA-N
XLogP1.67
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185277
N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 83179650
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
N,4-dimethyl-N-(2-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185424
N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 102997398
N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83180589
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 112665398
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83178527
N,4-dimethyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83189478
N-cyclopropyl-N-(2-methoxyethyl)-4-methyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185808

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine (CID 83185920) is N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine is CCCNCc1cnc(N(C)CCCN(C)C)nc1C.
What is the InChIKey of N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine?
The InChIKey is QURXSDWAJTURLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-8-16-11-14-12-17-15(18-13(14)2)20(5)10-7-9-19(3)4/h12,16H,6-11H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine has a molecular weight of 279.43 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83185920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).