N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine

C12H21N3 — CID 63198027

IUPACN-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine
SMILESCCNC(C)C(c1ccncn1)C(C)C
InChIInChI=1S/C12H21N3/c1-5-14-10(4)12(9(2)3)11-6-7-13-8-15-11/h6-10,12,14H,5H2,1-4H3
InChIKeyAICXSZGXAWKDSX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.21
Rot. Bonds5

About N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine

N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine (PubChem CID 63198027) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine
PubChem CID63198027
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine
SMILESCCNC(C)C(c1ccncn1)C(C)C
InChIInChI=1S/C12H21N3/c1-5-14-10(4)12(9(2)3)11-6-7-13-8-15-11/h6-10,12,14H,5H2,1-4H3
InChIKeyAICXSZGXAWKDSX-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63987713
N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973
(E)-N-ethyl-4-pyrimidin-4-ylbut-3-en-2-amine
CID 103092380
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988550
N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
CID 63988342
4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine
CID 63197188
N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine
CID 63198163
N-propyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986807
N-ethyl-3,3-dimethyl-1-pyrimidin-4-ylbutan-2-amine
CID 63198618

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine (CID 63198027) is N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine is CCNC(C)C(c1ccncn1)C(C)C.
What is the InChIKey of N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine?
The InChIKey is AICXSZGXAWKDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-14-10(4)12(9(2)3)11-6-7-13-8-15-11/h6-10,12,14H,5H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine?
N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine is sourced from PubChem (CID 63198027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).