N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine

C15H27N3 — CID 114206620

IUPACN-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine
SMILESCCCc1nc(CC(C)(C)C)ncc1CNCC
InChIInChI=1S/C15H27N3/c1-6-8-13-12(10-16-7-2)11-17-14(18-13)9-15(3,4)5/h11,16H,6-10H2,1-5H3
InChIKeyMHOXWXQQTVOVDK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.13
Rot. Bonds6

About N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 114206620) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine
PubChem CID114206620
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine
SMILESCCCc1nc(CC(C)(C)C)ncc1CNCC
InChIInChI=1S/C15H27N3/c1-6-8-13-12(10-16-7-2)11-17-14(18-13)9-15(3,4)5/h11,16H,6-10H2,1-5H3
InChIKeyMHOXWXQQTVOVDK-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 63891334
N-[[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 114206427
N-[[2-(3,3-dimethylbutyl)-5-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 114245282
1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206931
2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303735
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305753
N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206730
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
N-[[4-methyl-2-(2-pyrrolidin-1-ylethoxy)pyrimidin-5-yl]methyl]ethanamine
CID 83189831
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 103175513
N-[[4-propan-2-yl-2-(propoxymethyl)pyrimidin-5-yl]methyl]ethanamine
CID 114206812

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine (CID 114206620) is N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine is CCCc1nc(CC(C)(C)C)ncc1CNCC.
What is the InChIKey of N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is MHOXWXQQTVOVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-8-13-12(10-16-7-2)11-17-14(18-13)9-15(3,4)5/h11,16H,6-10H2,1-5H3.
What are the key properties of N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 114206620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).