4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine

C9H17N5 — CID 80769589

IUPAC4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCN(C)C)n1
InChIInChI=1S/C9H17N5/c1-7-12-8(10)6-9(13-7)11-4-5-14(2)3/h6H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKeyBVHJIWCSYXGFJF-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.34
Rot. Bonds4

About 4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 80769589) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID80769589
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCN(C)C)n1
InChIInChI=1S/C9H17N5/c1-7-12-8(10)6-9(13-7)11-4-5-14(2)3/h6H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKeyBVHJIWCSYXGFJF-UHFFFAOYSA-N
XLogP0.34
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 76852081
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754
N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870251
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870195
4-N-(4-bromophenyl)-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870290
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80852017
6-N-[2-(dimethylamino)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870237
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
2-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80846493
2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine
CID 11043367

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine (CID 80769589) is 4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(N)cc(NCCN(C)C)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is BVHJIWCSYXGFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-7-12-8(10)6-9(13-7)11-4-5-14(2)3/h6H,4-5H2,1-3H3,(H3,10,11,12,13).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80769589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).