6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine

C11H20ClN5 — CID 82459184

IUPAC6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine
SMILESCCc1nc(Cl)c(N)c(NCCCN(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-4-8-15-10(12)9(13)11(16-8)14-6-5-7-17(2)3/h4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyKAPYRMZRXDHIMK-UHFFFAOYSA-N
MW257.77 g/mol
LogP1.64
Rot. Bonds6

About 6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine

6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine (PubChem CID 82459184) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine
PubChem CID82459184
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine
SMILESCCc1nc(Cl)c(N)c(NCCCN(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-4-8-15-10(12)9(13)11(16-8)14-6-5-7-17(2)3/h4-7,13H2,1-3H3,(H,14,15,16)
InChIKeyKAPYRMZRXDHIMK-UHFFFAOYSA-N
XLogP1.64
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 82459192
2-tert-butyl-6-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,5-diamine
CID 82459336
4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458253
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 81036688
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine
CID 82459378
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
6-chloro-2-ethyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82458956

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine (CID 82459184) is 6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine is CCc1nc(Cl)c(N)c(NCCCN(C)C)n1.
What is the InChIKey of 6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine?
The InChIKey is KAPYRMZRXDHIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-4-8-15-10(12)9(13)11(16-8)14-6-5-7-17(2)3/h4-7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine?
6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine has a molecular weight of 257.77 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine is sourced from PubChem (CID 82459184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).