N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine

C15H14BrN3 — CID 133375697

IUPACN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine
SMILESBrc1cnc(NCC2C3Cc4ccccc4C23)nc1
InChIInChI=1S/C15H14BrN3/c16-10-6-17-15(18-7-10)19-8-13-12-5-9-3-1-2-4-11(9)14(12)13/h1-4,6-7,12-14H,5,8H2,(H,17,18,19)
InChIKeyRVQGMGBYBLEAHZ-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.24
Rot. Bonds3

About N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine (PubChem CID 133375697) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine
PubChem CID133375697
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine
SMILESBrc1cnc(NCC2C3Cc4ccccc4C23)nc1
InChIInChI=1S/C15H14BrN3/c16-10-6-17-15(18-7-10)19-8-13-12-5-9-3-1-2-4-11(9)14(12)13/h1-4,6-7,12-14H,5,8H2,(H,17,18,19)
InChIKeyRVQGMGBYBLEAHZ-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine?
The IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine (CID 133375697) is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine.
What is the SMILES notation for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine?
The canonical SMILES for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine is Brc1cnc(NCC2C3Cc4ccccc4C23)nc1.
What is the InChIKey of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine?
The InChIKey is RVQGMGBYBLEAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c16-10-6-17-15(18-7-10)19-8-13-12-5-9-3-1-2-4-11(9)14(12)13/h1-4,6-7,12-14H,5,8H2,(H,17,18,19).
What are the key properties of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine?
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine has a molecular weight of 316.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine is sourced from PubChem (CID 133375697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).