4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

C13H22Cl2N4 — CID 79633492

IUPAC4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H22Cl2N4/c1-4-19(5-2)8-6-7-10(3)17-12-11(14)9-16-13(15)18-12/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyVJQHWLKITASHRE-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.71
Rot. Bonds8

About 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 79633492) has the molecular formula C13H22Cl2N4 and a molecular weight of 305.25 g/mol. Its IUPAC name is 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID79633492
Molecular FormulaC13H22Cl2N4
Molecular Weight305.25 g/mol
Exact Mass304.12
IUPAC Name4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H22Cl2N4/c1-4-19(5-2)8-6-7-10(3)17-12-11(14)9-16-13(15)18-12/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyVJQHWLKITASHRE-UHFFFAOYSA-N
XLogP3.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine with MolForge

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Related Compounds

6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine
CID 55143692
2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585
2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine
CID 106889815
2-chloro-5-methyl-N-octan-2-ylpyrimidin-4-amine
CID 79076093
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 79532522
2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 113408737
5-chloro-2-N-ethyl-4-N-hexan-2-ylpyrimidine-2,4-diamine
CID 80822478
4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 127027357
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine
CID 104506257
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,3,4-triamine;hydrochloride
CID 54606444

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 79633492) is 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is VJQHWLKITASHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2N4/c1-4-19(5-2)8-6-7-10(3)17-12-11(14)9-16-13(15)18-12/h9-10H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 305.25 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 79633492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).