2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine

C9H16N4 — CID 115347124

IUPAC2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1nccc(CN)n1
InChIInChI=1S/C9H16N4/c1-13(2)6-4-9-11-5-3-8(7-10)12-9/h3,5H,4,6-7,10H2,1-2H3
InChIKeyYNNRNTDEYBNGBF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.04
Rot. Bonds4

About 2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine

2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine (PubChem CID 115347124) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
PubChem CID115347124
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1nccc(CN)n1
InChIInChI=1S/C9H16N4/c1-13(2)6-4-9-11-5-3-8(7-10)12-9/h3,5H,4,6-7,10H2,1-2H3
InChIKeyYNNRNTDEYBNGBF-UHFFFAOYSA-N
XLogP0.04
TPSA55.04 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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine
CID 79089467
[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine
CID 106815490
2-(2-propylpyrimidin-4-yl)ethanamine
CID 62744687
azane;2,4-dipropylpyrimidine
CID 174500974
(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine
CID 82391038
[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine
CID 105478159
4-butyl-2-propylpyrimidine
CID 20597890
2,4-bis(2-methoxyethyl)pyrimidine
CID 174836180
2-[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]ethanamine
CID 115347160
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 113291100
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107541680

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine (CID 115347124) is 2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine is CN(C)CCc1nccc(CN)n1.
What is the InChIKey of 2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine?
The InChIKey is YNNRNTDEYBNGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13(2)6-4-9-11-5-3-8(7-10)12-9/h3,5H,4,6-7,10H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine?
2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine has a molecular weight of 180.25 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)pyrimidin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 115347124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).