N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine

C14H13Br2N3 — CID 175982623

IUPACN-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC2Cc3cc(Br)c(Br)cc3C2)n1
InChIInChI=1S/C14H13Br2N3/c1-8-2-3-17-14(18-8)19-11-4-9-6-12(15)13(16)7-10(9)5-11/h2-3,6-7,11H,4-5H2,1H3,(H,17,18,19)
InChIKeyNNOIEDFONXYIIW-UHFFFAOYSA-N
MW383.09 g/mol
LogP3.89
Rot. Bonds2

About N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine

N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine (PubChem CID 175982623) has the molecular formula C14H13Br2N3 and a molecular weight of 383.09 g/mol. Its IUPAC name is N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine
PubChem CID175982623
Molecular FormulaC14H13Br2N3
Molecular Weight383.09 g/mol
Exact Mass380.95
IUPAC NameN-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC2Cc3cc(Br)c(Br)cc3C2)n1
InChIInChI=1S/C14H13Br2N3/c1-8-2-3-17-14(18-8)19-11-4-9-6-12(15)13(16)7-10(9)5-11/h2-3,6-7,11H,4-5H2,1H3,(H,17,18,19)
InChIKeyNNOIEDFONXYIIW-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.09
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
methyl 3-[(4-methylpyrimidin-2-yl)amino]azetidine-1-carboxylate
CID 133385760
N-(3-methoxycyclopentyl)-4-methylpyrimidin-2-amine
CID 103081989
4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
CID 133309901
4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103704805
(1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 138027257
2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934386
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618
4-methyl-N-(2-methylthiolan-3-yl)pyrimidin-2-amine
CID 131114290
4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine
CID 62958917
4-methyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103703993

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine (CID 175982623) is N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine is Cc1ccnc(NC2Cc3cc(Br)c(Br)cc3C2)n1.
What is the InChIKey of N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine?
The InChIKey is NNOIEDFONXYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3/c1-8-2-3-17-14(18-8)19-11-4-9-6-12(15)13(16)7-10(9)5-11/h2-3,6-7,11H,4-5H2,1H3,(H,17,18,19).
What are the key properties of N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine?
N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine has a molecular weight of 383.09 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dibromo-2,3-dihydro-1H-inden-2-yl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 175982623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).