(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine

C14H21N3 — CID 103431749

IUPAC(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(C2CC3CCC2C3)ncc1[C@@H](C)N
InChIInChI=1S/C14H21N3/c1-8(15)13-7-16-14(17-9(13)2)12-6-10-3-4-11(12)5-10/h7-8,10-12H,3-6,15H2,1-2H3/t8-,10?,11?,12?/m1/s1
InChIKeyXHIQYUPWFOAFEH-HBCVRQPNSA-N
MW231.34 g/mol
LogP2.71
Rot. Bonds2

About (1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine

(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 103431749) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID103431749
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(C2CC3CCC2C3)ncc1[C@@H](C)N
InChIInChI=1S/C14H21N3/c1-8(15)13-7-16-14(17-9(13)2)12-6-10-3-4-11(12)5-10/h7-8,10-12H,3-6,15H2,1-2H3/t8-,10?,11?,12?/m1/s1
InChIKeyXHIQYUPWFOAFEH-HBCVRQPNSA-N
XLogP2.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine (CID 103431749) is (1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine is Cc1nc(C2CC3CCC2C3)ncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is XHIQYUPWFOAFEH-HBCVRQPNSA-N. The full InChI is InChI=1S/C14H21N3/c1-8(15)13-7-16-14(17-9(13)2)12-6-10-3-4-11(12)5-10/h7-8,10-12H,3-6,15H2,1-2H3/t8-,10?,11?,12?/m1/s1.
What are the key properties of (1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine?
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103431749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).