N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine

C15H26N4 — CID 72892795

IUPACN'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
SMILESCc1ncnc(NCCCN(C)C2CCCC2)c1C
InChIInChI=1S/C15H26N4/c1-12-13(2)17-11-18-15(12)16-9-6-10-19(3)14-7-4-5-8-14/h11,14H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyCXTGCXOAZBYEFM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.77
Rot. Bonds6

About N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine

N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine (PubChem CID 72892795) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
PubChem CID72892795
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
SMILESCc1ncnc(NCCCN(C)C2CCCC2)c1C
InChIInChI=1S/C15H26N4/c1-12-13(2)17-11-18-15(12)16-9-6-10-19(3)14-7-4-5-8-14/h11,14H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyCXTGCXOAZBYEFM-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine (CID 72892795) is N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine is Cc1ncnc(NCCCN(C)C2CCCC2)c1C.
What is the InChIKey of N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is CXTGCXOAZBYEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-13(2)17-11-18-15(12)16-9-6-10-19(3)14-7-4-5-8-14/h11,14H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine?
N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(5,6-dimethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 72892795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).