ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine

C12H16N4 — CID 145185117

IUPACethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
SMILESCC.NC(c1cccnc1)c1cncnc1
InChIInChI=1S/C10H10N4.C2H6/c11-10(8-2-1-3-12-4-8)9-5-13-7-14-6-9;1-2/h1-7,10H,11H2;1-2H3
InChIKeyLYMRZCHHMAOQSD-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.95
Rot. Bonds2

About ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine

ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine (PubChem CID 145185117) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine.

Molecular Properties

Compound Nameethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
PubChem CID145185117
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Nameethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
SMILESCC.NC(c1cccnc1)c1cncnc1
InChIInChI=1S/C10H10N4.C2H6/c11-10(8-2-1-3-12-4-8)9-5-13-7-14-6-9;1-2/h1-7,10H,11H2;1-2H3
InChIKeyLYMRZCHHMAOQSD-UHFFFAOYSA-N
XLogP1.95
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
di(pyrimidin-5-yl)methanamine
CID 102923336
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
CID 115799088
(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
CID 117071668
(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
CID 115799285
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
(3-chloro-2-pyridinyl)-pyrimidin-5-ylmethanamine
CID 103443848
[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
CID 43198863
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027

Frequently Asked Questions

What is the IUPAC name of ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine?
The IUPAC name of ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine (CID 145185117) is ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine.
What is the SMILES notation for ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine?
The canonical SMILES for ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine is CC.NC(c1cccnc1)c1cncnc1.
What is the InChIKey of ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine?
The InChIKey is LYMRZCHHMAOQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4.C2H6/c11-10(8-2-1-3-12-4-8)9-5-13-7-14-6-9;1-2/h1-7,10H,11H2;1-2H3.
What are the key properties of ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine?
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine is sourced from PubChem (CID 145185117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).