N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine

C16H23N3 — CID 102556858

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine
SMILESc1cc(NCCC2CC3CCC2C3)nc(C2CC2)n1
InChIInChI=1S/C16H23N3/c1-2-13-9-11(1)10-14(13)5-7-17-15-6-8-18-16(19-15)12-3-4-12/h6,8,11-14H,1-5,7,9-10H2,(H,17,18,19)
InChIKeyGKGWXMMMRNJZDO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine (PubChem CID 102556858) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine
PubChem CID102556858
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine
SMILESc1cc(NCCC2CC3CCC2C3)nc(C2CC2)n1
InChIInChI=1S/C16H23N3/c1-2-13-9-11(1)10-14(13)5-7-17-15-6-8-18-16(19-15)12-3-4-12/h6,8,11-14H,1-5,7,9-10H2,(H,17,18,19)
InChIKeyGKGWXMMMRNJZDO-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine (CID 102556858) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine is c1cc(NCCC2CC3CCC2C3)nc(C2CC2)n1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine?
The InChIKey is GKGWXMMMRNJZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-13-9-11(1)10-14(13)5-7-17-15-6-8-18-16(19-15)12-3-4-12/h6,8,11-14H,1-5,7,9-10H2,(H,17,18,19).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 102556858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).