N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride

C16H19BrClN3 — CID 73293733

IUPACN-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc2c(c(N(C)c3cccc(Br)c3)n1)CC(C)C2.Cl
InChIInChI=1S/C16H18BrN3.ClH/c1-10-7-14-15(8-10)18-11(2)19-16(14)20(3)13-6-4-5-12(17)9-13;/h4-6,9-10H,7-8H2,1-3H3;1H
InChIKeyCHKBADWQQQQZOP-UHFFFAOYSA-N
MW368.71 g/mol
LogP4.47
Rot. Bonds2

About N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride

N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (PubChem CID 73293733) has the molecular formula C16H19BrClN3 and a molecular weight of 368.71 g/mol. Its IUPAC name is N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
PubChem CID73293733
Molecular FormulaC16H19BrClN3
Molecular Weight368.71 g/mol
Exact Mass367.05
IUPAC NameN-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride
SMILESCc1nc2c(c(N(C)c3cccc(Br)c3)n1)CC(C)C2.Cl
InChIInChI=1S/C16H18BrN3.ClH/c1-10-7-14-15(8-10)18-11(2)19-16(14)20(3)13-6-4-5-12(17)9-13;/h4-6,9-10H,7-8H2,1-3H3;1H
InChIKeyCHKBADWQQQQZOP-UHFFFAOYSA-N
XLogP4.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.71
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride (CID 73293733) is N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is Cc1nc2c(c(N(C)c3cccc(Br)c3)n1)CC(C)C2.Cl.
What is the InChIKey of N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
The InChIKey is CHKBADWQQQQZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3.ClH/c1-10-7-14-15(8-10)18-11(2)19-16(14)20(3)13-6-4-5-12(17)9-13;/h4-6,9-10H,7-8H2,1-3H3;1H.
What are the key properties of N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride?
N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride has a molecular weight of 368.71 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 73293733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).