N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine

C12H22N4 — CID 115347141

IUPACN-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(CCN(C)C)nc1
InChIInChI=1S/C12H22N4/c1-10(2)13-7-11-8-14-12(15-9-11)5-6-16(3)4/h8-10,13H,5-7H2,1-4H3
InChIKeyXWELRPQSUXVIPW-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.08
Rot. Bonds6

About N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine

N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 115347141) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID115347141
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(CCN(C)C)nc1
InChIInChI=1S/C12H22N4/c1-10(2)13-7-11-8-14-12(15-9-11)5-6-16(3)4/h8-10,13H,5-7H2,1-4H3
InChIKeyXWELRPQSUXVIPW-UHFFFAOYSA-N
XLogP1.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62756774
N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 113388230
2-[5-(chloromethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
CID 115347152
2-[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]ethanamine
CID 115347160
N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 113388114
N-[(2-propan-2-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 62757867
4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol
CID 113499719
2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine
CID 105487467
N-methyl-N-(2-phenylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 65488451
2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481530
1-[2-[2-(dimethylamino)ethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 113291435
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine (CID 115347141) is N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(CCN(C)C)nc1.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is XWELRPQSUXVIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)13-7-11-8-14-12(15-9-11)5-6-16(3)4/h8-10,13H,5-7H2,1-4H3.
What are the key properties of N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 222.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 115347141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).