N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine

C9H16N4 — CID 61225693

IUPACN',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCCN(C)C)ncn1
InChIInChI=1S/C9H16N4/c1-8-6-9(12-7-11-8)10-4-5-13(2)3/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyRELLWNXABACSEU-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.76
Rot. Bonds4

About N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 61225693) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID61225693
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCCN(C)C)ncn1
InChIInChI=1S/C9H16N4/c1-8-6-9(12-7-11-8)10-4-5-13(2)3/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyRELLWNXABACSEU-UHFFFAOYSA-N
XLogP0.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 61234929
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
6-N-[2-(dimethylamino)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857392
4-N-cyclopropyl-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112854687
N-(3-bromopropyl)-6-methylpyrimidin-4-amine
CID 126848040
6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857450
6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112857443
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine (CID 61225693) is N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine is Cc1cc(NCCN(C)C)ncn1.
What is the InChIKey of N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is RELLWNXABACSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8-6-9(12-7-11-8)10-4-5-13(2)3/h6-7H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 61225693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).