N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine

C10H17ClN4 — CID 107207100

IUPACN'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
SMILESCN(CCCCCN)c1ncncc1Cl
InChIInChI=1S/C10H17ClN4/c1-15(6-4-2-3-5-12)10-9(11)7-13-8-14-10/h7-8H,2-6,12H2,1H3
InChIKeyGGEVOXFNARDFIJ-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.70
Rot. Bonds6

About N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine

N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine (PubChem CID 107207100) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
PubChem CID107207100
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC NameN'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
SMILESCN(CCCCCN)c1ncncc1Cl
InChIInChI=1S/C10H17ClN4/c1-15(6-4-2-3-5-12)10-9(11)7-13-8-14-10/h7-8H,2-6,12H2,1H3
InChIKeyGGEVOXFNARDFIJ-UHFFFAOYSA-N
XLogP1.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.70
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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Related Compounds

N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine
CID 105369023
5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205369
5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 172881704
N'-(3-chloro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 60870040
N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107206962
methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate
CID 105370376
N-(5-bromopentyl)-3,5-dichloro-N-methylpyridin-2-amine
CID 107205213
N'-(5-chloropyrimidin-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 105370054
N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107206914
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75511399
N'-methyl-N'-(1,2,4-triazin-6-yl)propane-1,3-diamine
CID 112709407

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine?
The IUPAC name of N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine (CID 107207100) is N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine?
The canonical SMILES for N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine is CN(CCCCCN)c1ncncc1Cl.
What is the InChIKey of N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine?
The InChIKey is GGEVOXFNARDFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-15(6-4-2-3-5-12)10-9(11)7-13-8-14-10/h7-8H,2-6,12H2,1H3.
What are the key properties of N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine?
N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine has a molecular weight of 228.73 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 107207100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).