6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine

C13H24ClN5 — CID 55143692

IUPAC6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine
SMILESCCN(CC)CCCC(C)Nc1ncnc(Cl)c1N
InChIInChI=1S/C13H24ClN5/c1-4-19(5-2)8-6-7-10(3)18-13-11(15)12(14)16-9-17-13/h9-10H,4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyMXMISFVOKUUPKJ-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.63
Rot. Bonds8

About 6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine

6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine (PubChem CID 55143692) has the molecular formula C13H24ClN5 and a molecular weight of 285.82 g/mol. Its IUPAC name is 6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine
PubChem CID55143692
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC Name6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine
SMILESCCN(CC)CCCC(C)Nc1ncnc(Cl)c1N
InChIInChI=1S/C13H24ClN5/c1-4-19(5-2)8-6-7-10(3)18-13-11(15)12(14)16-9-17-13/h9-10H,4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyMXMISFVOKUUPKJ-UHFFFAOYSA-N
XLogP2.63
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine
CID 63022217
6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine
CID 63024122
6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine
CID 63925085
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,3,4-triamine;hydrochloride
CID 54606444
2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine
CID 106889815
4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79633492
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 79532522
1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride
CID 131875514
3-bromo-2-N-[5-(diethylamino)pentan-2-yl]-4-methylpyridine-2,5-diamine
CID 104506257
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888
6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
CID 63022906

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine (CID 55143692) is 6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine is CCN(CC)CCCC(C)Nc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine?
The InChIKey is MXMISFVOKUUPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5/c1-4-19(5-2)8-6-7-10(3)18-13-11(15)12(14)16-9-17-13/h9-10H,4-8,15H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine?
6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine has a molecular weight of 285.82 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 55143692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).