N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine

C12H19N3 — CID 107004233

IUPACN-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)C1CC1(C)C
InChIInChI=1S/C12H19N3/c1-4-15-11(10-5-12(10,2)3)9-6-13-8-14-7-9/h6-8,10-11,15H,4-5H2,1-3H3
InChIKeyZSOINMNGUJPJHQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.17
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine

N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 107004233) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID107004233
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)C1CC1(C)C
InChIInChI=1S/C12H19N3/c1-4-15-11(10-5-12(10,2)3)9-6-13-8-14-7-9/h6-8,10-11,15H,4-5H2,1-3H3
InChIKeyZSOINMNGUJPJHQ-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 107004419
N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107001147
N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
CID 115827057
N-[(3,5-dimethylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923487
N-[(2-methylcyclopentyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107188092
N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
CID 107001032
N-[(1,1-dioxothiolan-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 115336884
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine
CID 107004399
N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001196
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001028
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107005025

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine (CID 107004233) is N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)C1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is ZSOINMNGUJPJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-15-11(10-5-12(10,2)3)9-6-13-8-14-7-9/h6-8,10-11,15H,4-5H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 107004233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).