N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C11H20N4 — CID 61233848

IUPACN-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCc1cc(NCCCN(C)C)ncn1
InChIInChI=1S/C11H20N4/c1-4-10-8-11(14-9-13-10)12-6-5-7-15(2)3/h8-9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyKYTHCRILKFAZBJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.40
Rot. Bonds6

About N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 61233848) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID61233848
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCc1cc(NCCCN(C)C)ncn1
InChIInChI=1S/C11H20N4/c1-4-10-8-11(14-9-13-10)12-6-5-7-15(2)3/h8-9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyKYTHCRILKFAZBJ-UHFFFAOYSA-N
XLogP1.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.40
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-(6-ethylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 61234929
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 61236239
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63965722
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
4-N-cyclopropyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112854689
4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857881

Frequently Asked Questions

What is the IUPAC name of N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 61233848) is N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is CCc1cc(NCCCN(C)C)ncn1.
What is the InChIKey of N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KYTHCRILKFAZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-10-8-11(14-9-13-10)12-6-5-7-15(2)3/h8-9H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 61233848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).